5-chloro-2-methylbenzoic acid

5-chloro-2-methylbenzoic acid

CAS: 7499-06-1

Formula: C8H7ClO2

SMILES: CC1=C(C=C(Cl)C=C1)C(O)=O

IUPAC: 5-chloro-2-methylbenzoic acid

InChI: InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)

Composition: C (56.33%), H (4.14%), Cl (20.78%), O (18.76%)

Molar Mass: 170.59

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	170.0134572
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CSAPESWNZDOAFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.16
Topological Polar Surface Area	37.3
Polarizability	16.32
Ring Count	1
Rotatable Bond Count	1

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