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115363-80-9 | 1H-Imidazole-5-carbonyl chloride, 4-cyano-
CAS No: 115363-80-9 Catalog No: AG000GN9 MDL No:
Product Description
Catalog Number:
AG000GN9
Chemical Name:
1H-Imidazole-5-carbonyl chloride, 4-cyano-
CAS Number:
115363-80-9
Molecular Formula:
C5H2ClN3O
Molecular Weight:
155.5419
IUPAC Name:
4-cyano-1H-imidazole-5-carbonyl chloride
InChI:
InChI=1S/C5H2ClN3O/c6-5(10)4-3(1-7)8-2-9-4/h2H,(H,8,9)
InChI Key:
ZWMPNJLAUWKBKJ-UHFFFAOYSA-N
SMILES:
N#Cc1nc[nH]c1C(=O)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.989g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.541g/mol
Monoisotopic Mass:
154.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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