2-amino-4-fluoro-5-iodobenzoic acid

2-amino-4-fluoro-5-iodobenzoic acid

CAS: 231278-08-3

Formula: C7H5FINO2

SMILES: NC1=C(C=C(I)C(F)=C1)C(O)=O

IUPAC: 2-amino-4-fluoro-5-iodobenzoic acid

InChI: InChI=1S/C7H5FINO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12)

Composition: C (29.92%), H (1.79%), F (6.76%), I (45.16%), N (4.98%), O (11.39%)

Molar Mass: 281.025

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.9349
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WQFNPHMSIVIAMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.59
Topological Polar Surface Area	63.32
Polarizability	19.07
Ring Count	1
Rotatable Bond Count	1

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