(E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
Basic information
- CAS
21278-67-1- Standard SMILES
O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1Cl- InChIKey
UQOPTOKQPGXSFP-DUXPYHPUSA-N- Molecular formula
- C9H6ClNO4
- Average molar mass
- 227.6 g/mol
- Monoisotopic mass
- 226.9985354
Names & identifiers
- Preferred name
- (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
- IUPAC
- (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
Names & synonyms
NSC12922621278-67-1DTXSID90419162NSC-129226(2E)-3-(2-Chloro-4-nitrophenyl)prop-2-enoic acid
Database identifiers
- CAS
21278-67-1- PubChem CID
- 5381990
- DTXSID
DTXSID90419162
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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