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Home > Imidazoles > 72699-62-8
72699-62-8 | 1H-Imidazole-1-carbonyl chloride, 2,3-dihydro-2-oxo- (9CI)
CAS No: 72699-62-8 Catalog No: AG005Q4U MDL No:
Product Description
Catalog Number:
AG005Q4U
Chemical Name:
1H-Imidazole-1-carbonyl chloride, 2,3-dihydro-2-oxo- (9CI)
CAS Number:
72699-62-8
Molecular Formula:
C4H3ClN2O2
Molecular Weight:
146.5318
IUPAC Name:
2-oxo-1H-imidazole-3-carbonyl chloride
InChI:
InChI=1S/C4H3ClN2O2/c5-3(8)7-2-1-6-4(7)9/h1-2H,(H,6,9)
InChI Key:
RSWLEGITRXHJEL-UHFFFAOYSA-N
SMILES:
ClC(=O)n1cc[nH]c1=O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.988g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.53g/mol
Monoisotopic Mass:
145.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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