2- (2-Chlorophenyl) -1-phenylethan-1-one

CAT: 0926-HCA47960-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-HCA47960-01Size:250 mg

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CAS Number

57479-60-4

MDL Number

MFCD00666865

Smiles

C1=CC=C (C=C1) C (=O) CC2=CC=CC=C2Cl

Molecular Formula

C14H11ClO

Molecular Weight

230.69 g/mol

Controlled

Chemical Information

2-(2-Chlorophenyl)-1-phenylethanone

CAS Number	57479-60-4
PubChem CID	93681
IUPAC Name	2-(2-chlorophenyl)-1-phenylethanone
Molecular Formula	C14H11ClO
Molecular Weight	230.69
XLogP	3.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	233

SMILES

C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C14H11ClO/c15-13-9-5-4-8-12(13)10-14(16)11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

AMQKCOCKRZUDKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57479-60-4

CID: 93681

Formula: C14H11ClO

MW: 230.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.69
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	230.0498427
Monoisotopic Mass	230.0498427
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
KZB44044-01	2- (2-Chlorophenyl) -1-phenylethan-1-amine hydrochloride
SDA25294-01	1- (4-Chlorophenyl) -2-phenylethan-1-amine hydrochloride
FAA39893-01	2- (Methylsulfanyl) -1-phenylethan-1-one
KAA27155-01	2- (Ethylsulfanyl) -1-phenylethan-1-one
CDA97053-01	2- (Ethanesulfonyl) -1-phenylethan-1-one
GAA73922-01	2-cyclopropyl-1-phenylethan-1-one
YAA03365-01	2-Cyclopentyl-1-phenylethan-1-one
QFA45191-01	2-Cyclobutyl-1-phenylethan-1-one
PAA11394-01	1-Cyclopropyl-2-phenylethan-1-one
NEA12286-01	1- (Oxolan-2-yl) -2-phenylethan-1-one

Catalog	Name
OR1035497-01	2- (2-Chlorophenyl) -1-phenylethan-1-one
OR24071	2-bromo-1- (4-chlorophenyl) -2-phenylethan-1-one
sc-339855	2- (4-chlorophenyl) -1-phenylethan-1-amine hydrochloride
OR22884	2- (Ethylthio) -1-phenylethan-1-one
HY-128407-01	2,2-Dihydroxy-1-phenylethan-1-one
OR22409-01	1- (2-Hydroxyphenyl) -2-phenylethan-1-one
OR12174	2- (4-Chloroanilino) -1-phenylethan-1-one
sc-259192A	2- (4-Bromoanilino) -1-phenylethan-1-one
OR340117	2- (4-Nitrophenyl) -1-phenylethan-1-one
OR27810-01	1- (2,4-dihydroxyphenyl) -2-phenylethan-1-one