(4-nitrophenyl) 4-(diaminomethylideneamino)benzoate

CAS: 21658-26-4

Molecular Formula	`C14H12N4O4`
Molecular Weight	300.27 g/mol
LogP	1.6
Topological Polar Surface Area	137.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	300.08585
Heavy Atoms	22
Complexity	429.0

Chemical Identifiers

CAS Number	21658-26-4
SMILES	`C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N`
InChIKey	`CFOQGBUQTOGYKI-UHFFFAOYSA-N`

📖 Product Overview

(4-nitrophenyl) 4-(diaminomethylideneamino)benzoate (CAS: 21658-26-4) is a chemical compound with molecular formula C14H12N4O4 and molecular weight 300.27 g/mol. Its IUPAC systematic name is (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate. LogP 1.6 Topological Polar Surface Area 137.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 300.08585 Heavy Atoms 22 Complexity 429.0 InChI Key: CFOQGBUQTOGYKI-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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