200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 53484-13-2
53484-13-2 | 1H-Benzimidazole-5-carbonitrile,1-methyl-(9CI)
CAS No: 53484-13-2 Catalog No: AG00DADO MDL No:MFCD09027482
Product Description
Catalog Number:
AG00DADO
Chemical Name:
1H-Benzimidazole-5-carbonitrile,1-methyl-(9CI)
CAS Number:
53484-13-2
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD09027482
IUPAC Name:
1-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-12-6-11-8-4-7(5-10)2-3-9(8)12/h2-4,6H,1H3
InChI Key:
PJHYDBVFHHMVCS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ncn2C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.