200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1267232-32-5
1267232-32-5 | 3'-Chloro-3,4'-dimethylbutyrophenone
CAS No: 1267232-32-5 Catalog No: AG01FDHA MDL No:
Product Description
Catalog Number:
AG01FDHA
Chemical Name:
3'-Chloro-3,4'-dimethylbutyrophenone
CAS Number:
1267232-32-5
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
1-(3-chloro-4-methylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C12H15ClO/c1-8(2)6-12(14)10-5-4-9(3)11(13)7-10/h4-5,7-8H,6H2,1-3H3
InChI Key:
GOIFODPZYFFRRH-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(c(c1)Cl)C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
© 2019 Angene International Limited. All rights Reserved.