200,000+ products from a single source!
sales@angenechem.com
150613-50-6 | 1H-Benzimidazole-6-carbonitrile, 2-(chloromethyl)-
CAS No: 150613-50-6 Catalog No: AG001MRI MDL No:MFCD08234907
Product Description
Catalog Number:
AG001MRI
Chemical Name:
1H-Benzimidazole-6-carbonitrile, 2-(chloromethyl)-
CAS Number:
150613-50-6
Molecular Formula:
C9H6ClN3
Molecular Weight:
191.6170
MDL Number:
MFCD08234907
IUPAC Name:
2-(chloromethyl)-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H6ClN3/c10-4-9-12-7-2-1-6(5-11)3-8(7)13-9/h1-3H,4H2,(H,12,13)
InChI Key:
XAMQWUSDVFFTGA-UHFFFAOYSA-N
SMILES:
ClCc1nc2c([nH]1)cc(cc2)C#N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.618g/mol
Monoisotopic Mass:
191.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.