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Home > Imidazoles > 55864-37-4
55864-37-4 | Cyanamide, 1H-benzimidazol-2-yl- (9CI)
CAS No: 55864-37-4 Catalog No: AG00DREP MDL No:MFCD00159986
Product Description
Catalog Number:
AG00DREP
Chemical Name:
Cyanamide, 1H-benzimidazol-2-yl- (9CI)
CAS Number:
55864-37-4
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
MDL Number:
MFCD00159986
IUPAC Name:
1H-benzimidazol-2-ylcyanamide
InChI:
InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
InChI Key:
NYLIXUBOFQIMGV-UHFFFAOYSA-N
SMILES:
N#CNc1nc2c([nH]1)cccc2
NSC Number:
86124
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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