200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1268091-22-0
1268091-22-0 | 3'-Chloro-4'-methylbutyrophenone
CAS No: 1268091-22-0 Catalog No: AG01FEMJ MDL No:
Product Description
Catalog Number:
AG01FEMJ
Chemical Name:
3'-Chloro-4'-methylbutyrophenone
CAS Number:
1268091-22-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(3-chloro-4-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h5-7H,3-4H2,1-2H3
InChI Key:
VUDZSHJZTZNUKA-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)Cl)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
© 2019 Angene International Limited. All rights Reserved.