Products for Research Use Only
RegisterLogin

3'-Bromo-5'-methylacetophenone

CAT: 0127-OR400653-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR400653-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1379325-64-0
MDL Number
MFCD18905445
Purity
=95%
Smiles
CC(=O)c1cc(C)cc(Br)c1

Chemical Information

1-(3-Bromo-5-methylphenyl)ethanone
CAS Number1379325-64-0
PubChem CID19702307
IUPAC Name1-(3-bromo-5-methylphenyl)ethanone
Molecular FormulaC9H9BrO
Molecular Weight213.07
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity156
SMILES
CC1=CC(=CC(=C1)Br)C(=O)C
InChI
InChI=1S/C9H9BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5H,1-2H3
InChIKey
QDCCNYXYTIETKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Bromo-5-methylphenyl)ethanone
CAS: 1379325-64-0
CID: 19702307
Formula: C9H9BrO
MW: 213.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.07
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass211.98368
Monoisotopic Mass211.98368
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity156
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
OR554445'-Bromo-2'-Methoxy-3'-methylacetophenone
OR345335-013-Bromo-4-methylacetophenone
OR400663-014’-Bromo-3’-methylacetophenone
OR345357-015-Bromo-2-hydroxy-4-methylacetophenone
PC5015475'-Bromo-2'-fluoro-4'-methylacetophenone
PC302555-013'-Fluoro-5'-methylacetophenone
OR4006292'-Bromo-6'-methylacetophenone
OR55086-013-Methylacetophenone
PC568132’,3’-Difluoro-5’-methylacetophenone
PC5012073'-Fluoro-5'-iodo-4'-methylacetophenone

Alternative Products

CatalogName
427665-013'-Bromo-5'-methylacetophenone
CCA779763'-bromo-2'-methylacetophenone
427662-013'-Bromo-4'-methylacetophenone
FB70251-014'-Bromo-3'-methylacetophenone, 98%
FB106406-014'-Bromo-3'-methylacetophenone, 75%
sc-2777844'-Bromo-2'-hydroxy-5'-methylacetophenone
266484-015'-Bromo-2'-hydroxy-4'-methylacetophenone
1618275-Bromo-2-hydroxy-4-methylacetophenone
sc-299175A3'-Fluoro-5'-methylacetophenone
232354-013'-Bromo-4'-methylacetophenone 99+% (GC)

Popular Products