Home Nitriles 2-methyl-1H-1,3-benzodiazole-4-carbonitrile

2-methyl-1H-1,3-benzodiazole-4-carbonitrile

CAS No.:
1060705-57-8
Catalog Number:
AG01E7TI
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7TI
Chemical Name:
2-methyl-1H-1,3-benzodiazole-4-carbonitrile
CAS Number:
1060705-57-8
MDL Number:
MFCD21336201
IUPAC Name:
2-methyl-1H-benzimidazole-4-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-11-8-4-2-3-7(5-10)9(8)12-6/h2-4H,1H3,(H,11,12)
InChI Key:
XOMYGZVLPPCZMM-UHFFFAOYSA-N
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:
1  
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties