200,000+ products from a single source!
sales@angenechem.com
1597074-59-3 | Benzonitrile, 4-(3-isoxazolyl)-
CAS No: 1597074-59-3 Catalog No: AG001RBS MDL No:
Product Description
Catalog Number:
AG001RBS
Chemical Name:
Benzonitrile, 4-(3-isoxazolyl)-
CAS Number:
1597074-59-3
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
IUPAC Name:
4-(1,2-oxazol-3-yl)benzonitrile
InChI:
InChI=1S/C10H6N2O/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-6H
InChI Key:
RKHGTXOZIRRCFC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nocc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.