Products for Research Use Only
RegisterLogin

3'-Chloromethylacetophenone

CAT: 0127-OR964995-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR964995-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
41908-12-7
MDL Number
MFCD06658170
Purity
98%
Smiles
CC(=O)c1cccc(CCl)c1

Chemical Information

1-(3-Chloromethyl-phenyl)-ethanone
CAS Number41908-12-7
PubChem CID23439839
IUPAC Name1-[3-(chloromethyl)phenyl]ethanone
Molecular FormulaC9H9ClO
Molecular Weight168.62
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC(=O)C1=CC=CC(=C1)CCl
InChI
InChI=1S/C9H9ClO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3
InChIKey
COWCOTXRROPSNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Chloromethyl-phenyl)-ethanone
CAS: 41908-12-7
CID: 23439839
Formula: C9H9ClO
MW: 168.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.62
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass168.0341926
Monoisotopic Mass168.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-013- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-013,3,3-Trifluoropropanehydrazide
OR1043029-013,3',3''-Nitrilotripropanamide
PC9016253,3,3-Trifluoropropanamide
OR89892-013,3',3''-Nitrilotripropanenitrile
PC4452-013,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-013,3,3-Trifluoropropylamine
PC450524-013,3,3-Trifluoropropoxytriethylsilane
OR1060769-013,3',3''-Phosphanetriyltriphenol

Alternative Products

CatalogName
JH6840743-Chloromethylacetophenone
sc-2669983'-Chloromethylacetophenone
QMC01729-013- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-013- (3,3,3-Trifluoropropyl) aniline
sc-2604333- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
NU-456L3',3',3'-cAAG
JMB17199-013,3,3-Trifluoropropanehydrazide
sc-2611293,3,3-Trifluoropropionitrile
sc-347307A3,3,3-trifluoropropanamide

Popular Products