CAS 5162-03-8 | 2-Chlorobenzophenone | CAS Number 5162-03-8

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5162-03-8 | 2-Chlorobenzophenone

CAS No: 5162-03-8 Catalog No: AG00327C MDL No:MFCD00000558

Product Description

Catalog Number:

AG00327C

Chemical Name:

2-Chlorobenzophenone

CAS Number:

5162-03-8

Molecular Formula:

C13H9ClO

Molecular Weight:

216.6630

MDL Number:

MFCD00000558

IUPAC Name:

(2-chlorophenyl)-phenylmethanone

InChI:

InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

InChI Key:

VMHYWKBKHMYRNF-UHFFFAOYSA-N

SMILES:

Clc1ccccc1C(=O)c1ccccc1

EC Number:

225-936-9

NSC Number:

62529

Properties

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.664g/mol

Monoisotopic Mass:

216.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Inclusion complex of 2-chlorobenzophenone with cyclomaltoheptaose (β-cyclodextrin): temperature, solvent effects and molecular modeling.	Carbohydrate research 20110927
N'-Benzoyl-N-tert-butyl-2-chloro-N'-{[3-(6-chloro-3-pyrid-ylmethyl)-2-nitrimino-imidazolidin-1-yl]sulfan-yl}benzo-hydrazide.	Acta crystallographica. Section E, Structure reports online 20090901
2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.	Acta crystallographica. Section E, Structure reports online 20090801
Experimental and computational studies on the molecular energetics of chlorobenzophenones.	The journal of physical chemistry. B 20071115