1- (2-Chlorophenyl) propan-2-one

CAT: 0127-OR23885-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR23885-01Size:5 g

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CAS Number

6305-95-9

Synonyms

(2-Chlorophenyl) acetone, 1- (2-Chlorophenyl) -2-oxopropane

MDL Number

MFCD00045175

Purity

97%

Smiles

CC(=O)Cc1ccccc1Cl

Chemical Information

1-(2-Chlorophenyl)propan-2-one

CAS Number	6305-95-9
PubChem CID	229355
IUPAC Name	1-(2-chlorophenyl)propan-2-one
Molecular Formula	C9H9ClO
Molecular Weight	168.62
XLogP	2.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CC(=O)CC1=CC=CC=C1Cl

InChI

InChI=1S/C9H9ClO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3

InChIKey

LWGNDIMNCPMZOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6305-95-9

CID: 229355

Formula: C9H9ClO

MW: 168.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.62
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	168.0341926
Monoisotopic Mass	168.0341926
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
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OR1057103-01	1- (3-Chlorophenyl) propan-2-ol
OR1093558-01	1- (4-chlorophenyl) propan-2-ol
OR962887-01	2- (2-Chlorophenyl) propan-2-ol

Catalog	Name
TRC-B405298-50MG	1-(2-Chlorophenyl)propan-1-one
PAA12360	1- (3-Chlorophenyl) propan-2-one
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sc-501199	2- (3-Chlorophenyl) propan-2-amine
GBA00287-01	2- (3-Chlorophenyl) propan-2-ol
BAA98925	2- (4-Chlorophenyl) propan-2-ol
413137-01	2- (2-Chlorophenyl) propan-2-amine Hydrochloride
QDA86966-01	1- (2-Chlorophenyl) -2- (methylamino) propan-1-one hydrochloride
GJB60926	1- (2-Chlorophenyl) -2- (dimethylamino) propan-1-one hydrochloride
TRC-D346800-250MG	2,2-Dibromo-1-(3-chlorophenyl)propan-1-one