Home Halogens 1-(4-bromo-1H-pyrazol-5-yl)ethan-1-one

1-(4-bromo-1H-pyrazol-5-yl)ethan-1-one

CAS No.:
1552739-60-2
Catalog Number:
AG01ELK2
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
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Product Description
Catalog Number:
AG01ELK2
Chemical Name:
1-(4-bromo-1H-pyrazol-5-yl)ethan-1-one
CAS Number:
1552739-60-2
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD31667948
IUPAC Name:
1-(4-bromo-1H-pyrazol-5-yl)ethanone
InChI:
InChI=1S/C5H5BrN2O/c1-3(9)5-4(6)2-7-8-5/h2H,1H3,(H,7,8)
InChI Key:
ODWUEEGAVLRFDJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Br)cn[nH]1
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/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  
Properties