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Home > Imidazoles > 54980-89-1
54980-89-1 | 1H-Benzimidazole-1-acetonitrile,2-propyl-(9CI)
CAS No: 54980-89-1 Catalog No: AG00E4YE MDL No:
Product Description
Catalog Number:
AG00E4YE
Chemical Name:
1H-Benzimidazole-1-acetonitrile,2-propyl-(9CI)
CAS Number:
54980-89-1
IUPAC Name:
2-(2-propylbenzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C12H13N3/c1-2-5-12-14-10-6-3-4-7-11(10)15(12)9-8-13/h3-4,6-7H,2,5,9H2,1H3
InChI Key:
YXXUHOKDLRTAAE-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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