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Home > Imidazoles > 1955506-52-1
1955506-52-1 | 1-(1H-imidazol-2-yl)ethan-1-one hydrochloride
CAS No: 1955506-52-1 Catalog No: AG01BDJB MDL No:MFCD08668454
Product Description
Catalog Number:
AG01BDJB
Chemical Name:
1-(1H-imidazol-2-yl)ethan-1-one hydrochloride
CAS Number:
1955506-52-1
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
MDL Number:
MFCD08668454
IUPAC Name:
1-(1H-imidazol-2-yl)ethanone;hydrochloride
InChI:
InChI=1S/C5H6N2O.ClH/c1-4(8)5-6-2-3-7-5;/h2-3H,1H3,(H,6,7);1H
InChI Key:
QEGJCILHFFAGLL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncc[nH]1.Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.574g/mol
Monoisotopic Mass:
146.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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