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848354-09-6 | 1H-Imidazole-2-carbonyl chloride
CAS No: 848354-09-6 Catalog No: AG004WW1 MDL No:
Product Description
Catalog Number:
AG004WW1
Chemical Name:
1H-Imidazole-2-carbonyl chloride
CAS Number:
848354-09-6
Molecular Formula:
C4H3ClN2O
Molecular Weight:
130.5324
IUPAC Name:
1H-imidazole-2-carbonyl chloride
InChI:
InChI=1S/C4H3ClN2O/c5-3(8)4-6-1-2-7-4/h1-2H,(H,6,7)
InChI Key:
ILRWDKIPRHRBRA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ncc[nH]1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.993g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.531g/mol
Monoisotopic Mass:
129.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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