1-(4-chlorophenyl)prop-2-yn-1-one

1-(4-chlorophenyl)prop-2-yn-1-one

CAS: 22959-34-8

Formula: C9H5ClO

SMILES: ClC1=CC=C(C=C1)C(=O)C#C

IUPAC: 1-(4-chlorophenyl)prop-2-yn-1-one

InChI: InChI=1S/C9H5ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6H

Composition: C (65.68%), H (3.06%), Cl (21.54%), O (9.72%)

Molar Mass: 164.59

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.0028925
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NOVBSUMDFGVLOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.41
Topological Polar Surface Area	17.07
Polarizability	16.67
Ring Count	1
Rotatable Bond Count	1

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