Home Halogens 2-bromo-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one

2-bromo-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one

CAS No.:
1623018-75-6
Catalog Number:
AG01ELXP
Molecular Formula:
C7H9BrN2O
Molecular Weight:
217.0632
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Product Description
Catalog Number:
AG01ELXP
Chemical Name:
2-bromo-1-(1-ethyl-1H-pyrazol-4-yl)ethan-1-one
CAS Number:
1623018-75-6
Molecular Formula:
C7H9BrN2O
Molecular Weight:
217.0632
MDL Number:
MFCD31690748
IUPAC Name:
2-bromo-1-(1-ethylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C7H9BrN2O/c1-2-10-5-6(4-9-10)7(11)3-8/h4-5H,2-3H2,1H3
InChI Key:
BNQBYYLHQFFATH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cnn(c1)CC
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.99g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.066g/mol
Monoisotopic Mass:
215.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties