2-chloro-2-oxo-1-phenylethyl formate

2-chloro-2-oxo-1-phenylethyl formate

CAS: 29169-64-0

Formula: C9H7ClO3

SMILES: ClC(=O)C(OC=O)C1=CC=CC=C1

IUPAC: 2-chloro-2-oxo-1-phenylethyl formate

InChI: InChI=1/C9H7ClO3/c10-9(12)8(13-6-11)7-4-2-1-3-5-7/h1-6,8H

Composition: C (54.43%), H (3.55%), Cl (17.85%), O (24.17%)

Molar Mass: 198.6

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	198.0083718
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZNLABNPTWSKGDX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.22
Topological Polar Surface Area	43.37
Polarizability	18.61
Ring Count	1
Rotatable Bond Count	4

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