200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 20651-74-5
20651-74-5 | Benzonitrile, 3-butyl-
CAS No: 20651-74-5 Catalog No: AG002IJ1 MDL No:MFCD20233386
Product Description
Catalog Number:
AG002IJ1
Chemical Name:
Benzonitrile, 3-butyl-
CAS Number:
20651-74-5
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD20233386
IUPAC Name:
3-butylbenzonitrile
InChI:
InChI=1S/C11H13N/c1-2-3-5-10-6-4-7-11(8-10)9-12/h4,6-8H,2-3,5H2,1H3
InChI Key:
KHTOSIUCQBUWHE-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)C#N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.