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137577-00-5 | Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-
CAS No: 137577-00-5 Catalog No: AG0013L7 MDL No:MFCD02681921
Product Description
Catalog Number:
AG0013L7
Chemical Name:
Ethanone, 2-bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-
CAS Number:
137577-00-5
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
MDL Number:
MFCD02681921
IUPAC Name:
2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C12H11BrN2O/c1-9-11(12(16)7-13)8-14-15(9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
VYGXRQSIPNGJNK-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cnn(c1C)c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.137g/mol
Monoisotopic Mass:
278.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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