4-Amino-3-chloro-5-nitro-2-phenylamino-benzoic acid methyl ester

HCID 85868196
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Basic information

Standard SMILES
COC(=O)c1cc([N+](=O)[O-])c(N)c(Cl)c1Nc1ccccc1
InChIKey
PYACJDCSSGRWMJ-UHFFFAOYSA-N
Molecular formula
C14H12ClN3O4
Average molar mass
321.71 g/mol
Monoisotopic mass
321.0516336

Names & identifiers

Preferred name
4-Amino-3-chloro-5-nitro-2-phenylamino-benzoic acid methyl ester
IUPAC
methyl 4-amino-2-anilino-3-chloro-5-nitrobenzoate

Names & synonyms

4-Amino-3-chloro-5-nitro-2-phenylamino-benzoic acid methyl esterPYACJDCSSGRWMJ-UHFFFAOYSA-NDB-184697606144-34-7

Database identifiers

PubChem CID
85868196

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Related reactions

26 records
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Linked notes

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