Acetic acid, chloronitro-, 1-methylethyl ester
TL;DR: Acetic acid, chloronitro-, 1-methylethyl ester (CAS 69153-31-7) is a chemical compound with molecular formula C5H8ClNO4 and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-2-nitroacetate
Also Known As: propan-2-yl chloro(nitro)acetate, propan-2-yl 2-chloro-2-nitroacetate, Acetic acid, chloronitro-, 1-methylethyl ester, 2,5-Furandione, reaction products with 1,3-butanediol, linoleyl alc. and triethylamine
| Molecular Formula | C5H8ClNO4 |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.01419 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 69153-31-7 |
|---|---|
| SMILES | CC(C)OC(=O)C([N+](=O)[O-])Cl |
| InChIKey | HQPBWHCFCFFTNC-UHFFFAOYSA-N |
Product Overview
Acetic acid, chloronitro-, 1-methylethyl ester (CAS 69153-31-7), with molecular formula C5H8ClNO4 and molecular weight 181.01 g/mol. IUPAC: propan-2-yl 2-chloro-2-nitroacetate.
Chemical Property Profile of Acetic acid, chloronitro-, 1-methylethyl ester
Property Insights of Acetic acid, chloronitro-, 1-methylethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, chloronitro-, 1-methylethyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, chloronitro-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, chloronitro-, 1-methylethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, chloronitro-, 1-methylethyl ester?
The CAS number of Acetic acid, chloronitro-, 1-methylethyl ester is 69153-31-7.
What is the molecular formula of Acetic acid, chloronitro-, 1-methylethyl ester?
The molecular formula of Acetic acid, chloronitro-, 1-methylethyl ester is C5H8ClNO4.
What is the molecular weight of Acetic acid, chloronitro-, 1-methylethyl ester?
The molecular weight of Acetic acid, chloronitro-, 1-methylethyl ester is 181.01 g/mol.
Where can I buy Acetic acid, chloronitro-, 1-methylethyl ester?
You can request a quote for Acetic acid, chloronitro-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloronitro-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloronitro-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.