Basic information
- CAS
62522-67-2- Standard SMILES
O=C(CCl)COC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
VKOAHTIIUBWKOP-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO5
- Average molar mass
- 257.63 g/mol
- Monoisotopic mass
- 257.0091
Names & identifiers
- Preferred name
- Benzoic acid, p-nitro-, chloroacetylmethyl ester
- IUPAC
- (3-chloro-2-oxopropyl) 4-nitrobenzoate
Names & synonyms
p-Nitrobenzoic acid chloroacetyl methyl esterBENZOIC ACID, p-NITRO-, CHLOROACETYLMETHYL ESTERBRN 228816762522-67-2DTXSID10211569RefChem:327952DTXCID90134060CHEMBL32764873-chloro-2-oxopropyl 4-nitrobenzoate
Database identifiers
- CAS
62522-67-2- PubChem CID
- 44082
- DTXSID
DTXSID10211569- ChEMBL
CHEMBL3276487
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…