3-amino-4-iodobenzoic acid

3-amino-4-iodobenzoic acid

CAS: 51411-81-5

Formula: C7H6INO2

SMILES: NC1=CC(=CC=C1I)C(O)=O

IUPAC: 3-amino-4-iodobenzoic acid

InChI: InChI=1S/C7H6INO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)

Composition: C (31.96%), H (2.30%), I (48.25%), N (5.33%), O (12.16%)

Molar Mass: 263.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.94432
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MLHDNXRHJMQUOY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.38
Topological Polar Surface Area	63.32
Polarizability	19.16
Ring Count	1
Rotatable Bond Count	1

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