4-(3-chlorophenyl)butanoic acid

4-(3-chlorophenyl)butanoic acid

CAS: 22991-05-5

Formula: C10H11ClO2

SMILES: OC(=O)CCCC1=CC=CC(Cl)=C1

IUPAC: 4-(3-chlorophenyl)butanoic acid

InChI: InChI=1S/C10H11ClO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13)

Composition: C (60.46%), H (5.58%), Cl (17.85%), O (16.11%)

Molar Mass: 198.65

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.0447573
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UKSCUPNTXJMPCO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.37
Topological Polar Surface Area	37.3
Polarizability	20.09
Ring Count	1
Rotatable Bond Count	4

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