2-iodo-4-methylbenzoic acid

2-iodo-4-methylbenzoic acid

CAS: 1829-21-6

Formula: C8H7IO2

SMILES: CC1=CC=C(C(O)=O)C(I)=C1

IUPAC: 2-iodo-4-methylbenzoic acid

InChI: InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

Composition: C (36.67%), H (2.69%), I (48.43%), O (12.21%)

Molar Mass: 262.046

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.94907
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WNVUYAMRIXEZAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.72
Topological Polar Surface Area	37.3
Polarizability	19.7
Ring Count	1
Rotatable Bond Count	1

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