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117283-62-2 | 1H-Imidazole-5-carbonyl chloride, 2-chloro-1-methyl-
CAS No: 117283-62-2 Catalog No: AG000E1U MDL No:
Product Description
Catalog Number:
AG000E1U
Chemical Name:
1H-Imidazole-5-carbonyl chloride, 2-chloro-1-methyl-
CAS Number:
117283-62-2
Molecular Formula:
C5H4Cl2N2O
Molecular Weight:
179.0041
IUPAC Name:
2-chloro-3-methylimidazole-4-carbonyl chloride
InChI:
InChI=1S/C5H4Cl2N2O/c1-9-3(4(6)10)2-8-5(9)7/h2H,1H3
InChI Key:
HPZIZERPQARUHX-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnc(n1C)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179g/mol
Monoisotopic Mass:
177.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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