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120118-17-4 | 1H-Imidazole-2-carbonitrile, 5-chloro-4-phenyl-
CAS No: 120118-17-4 Catalog No: AG000QC7 MDL No:
Product Description
Catalog Number:
AG000QC7
Chemical Name:
1H-Imidazole-2-carbonitrile, 5-chloro-4-phenyl-
CAS Number:
120118-17-4
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
IUPAC Name:
5-chloro-4-phenyl-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C10H6ClN3/c11-10-9(13-8(6-12)14-10)7-4-2-1-3-5-7/h1-5H,(H,13,14)
InChI Key:
YYHGPUSGZAOXOI-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c([nH]1)Cl)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.629g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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