4-amino-2,5-dichlorobenzoic acid

4-amino-2,5-dichlorobenzoic acid

CAS: 50917-33-4

Formula: C7H5Cl2NO2

SMILES: NC1=CC(Cl)=C(C=C1Cl)C(O)=O

IUPAC: 4-amino-2,5-dichlorobenzoic acid

InChI: InChI=1S/C7H5Cl2NO2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)

Composition: C (40.81%), H (2.45%), Cl (34.41%), N (6.80%), O (15.53%)

Molar Mass: 206.02

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.9697338
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IFEACDHORUZYIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.62
Topological Polar Surface Area	63.32
Polarizability	17.72
Ring Count	1
Rotatable Bond Count	1

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