2-amino-5-iodo-3-methylbenzoic acid

2-amino-5-iodo-3-methylbenzoic acid

CAS: 108857-24-5

Formula: C8H8INO2

SMILES: CC1=CC(I)=CC(C(O)=O)=C1N

IUPAC: 2-amino-5-iodo-3-methylbenzoic acid

InChI: InChI=1S/C8H8INO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Composition: C (34.68%), H (2.91%), I (45.80%), N (5.06%), O (11.55%)

Molar Mass: 277.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	276.95997
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WFKOJKHXWWNXPK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.42
Topological Polar Surface Area	63.32
Polarizability	20.87
Ring Count	1
Rotatable Bond Count	1

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