4-chloro-1-(4-methoxyphenyl)butan-1-one

4-chloro-1-(4-methoxyphenyl)butan-1-one

CAS: 40877-19-8

Formula: C11H13ClO2

SMILES: COC1=CC=C(C=C1)C(=O)CCCCl

IUPAC: 4-chloro-1-(4-methoxyphenyl)butan-1-one

InChI: InChI=1S/C11H13ClO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3,8H2,1H3

Composition: C (62.12%), H (6.16%), Cl (16.67%), O (15.05%)

Molar Mass: 212.67

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.0604074
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NGBTWDPPZFGUAY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.13
Topological Polar Surface Area	26.3
Polarizability	22.09
Ring Count	1
Rotatable Bond Count	5

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