Home Other Building Blocks 1-(1H-pyrazol-4-yl)ethan-1-one hydrochloride

1-(1H-pyrazol-4-yl)ethan-1-one hydrochloride

CAS No.:
1803567-08-9
Catalog Number:
AG01BHI3
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
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Product Description
Catalog Number:
AG01BHI3
Chemical Name:
1-(1H-pyrazol-4-yl)ethan-1-one hydrochloride
CAS Number:
1803567-08-9
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
MDL Number:
MFCD28139642
IUPAC Name:
1-(1H-pyrazol-4-yl)ethanone;hydrochloride
InChI:
InChI=1S/C5H6N2O.ClH/c1-4(8)5-2-6-7-3-5;/h2-3H,1H3,(H,6,7);1H
InChI Key:
IOKGCPUTBQQBLN-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]nc1.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
Properties