4,5-Diamino-3-chloro-2-phenylamino-benzoic acid methyl ester

HCID 85868198
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Basic information

Standard SMILES
COC(=O)c1cc(N)c(N)c(Cl)c1Nc1ccccc1
InChIKey
HPDQUOYGTRQASI-UHFFFAOYSA-N
Molecular formula
C14H14ClN3O2
Average molar mass
291.73 g/mol
Monoisotopic mass
291.0774544

Names & identifiers

Preferred name
4,5-Diamino-3-chloro-2-phenylamino-benzoic acid methyl ester
IUPAC
methyl 4,5-diamino-2-anilino-3-chlorobenzoate

Names & synonyms

4,5-Diamino-3-chloro-2-phenylamino-benzoic acid methyl esterSCHEMBL1078510HPDQUOYGTRQASI-UHFFFAOYSA-NDB-184248606144-35-8

Database identifiers

PubChem CID
85868198

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
90.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Related reactions

25 records
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Linked notes

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