3-amino-2,4-dichloro-5-fluorobenzoic acid

3-amino-2,4-dichloro-5-fluorobenzoic acid

CAS: 115549-13-8

Formula: C7H4Cl2FNO2

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

IUPAC: 3-amino-2,4-dichloro-5-fluorobenzoic acid

InChI: InChI=1S/C7H4Cl2FNO2/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1H,11H2,(H,12,13)

Composition: C (37.53%), H (1.80%), Cl (31.65%), F (8.48%), N (6.25%), O (14.28%)

Molar Mass: 224.01

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.9603119
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UUWRGHXQVQUWHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.84
Topological Polar Surface Area	63.32
Polarizability	17.61
Ring Count	1
Rotatable Bond Count	1

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