phenyl 3-chloropropanoate

phenyl 3-chloropropanoate

CAS: 24552-27-0

Formula: C9H9ClO2

SMILES: ClCCC(=O)OC1=CC=CC=C1

IUPAC: phenyl 3-chloropropanoate

InChI: InChI=1S/C9H9ClO2/c10-7-6-9(11)12-8-4-2-1-3-5-8/h1-5H,6-7H2

Composition: C (58.55%), H (4.91%), Cl (19.20%), O (17.33%)

Molar Mass: 184.62

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.0291072
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RAFRTSDUWORDLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.64
Topological Polar Surface Area	26.3
Polarizability	18.43
Ring Count	1
Rotatable Bond Count	4

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