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Home > Bromides > 1153042-94-4
1153042-94-4 | 3H-Pyrazol-3-one, 2-(2-bromophenyl)-2,4-dihydro-5-(trifluoromethyl)-
CAS No: 1153042-94-4 Catalog No: AG000GKU MDL No:MFCD12431229
Product Description
Catalog Number:
AG000GKU
Chemical Name:
3H-Pyrazol-3-one, 2-(2-bromophenyl)-2,4-dihydro-5-(trifluoromethyl)-
CAS Number:
1153042-94-4
Molecular Formula:
C10H6BrF3N2O
Molecular Weight:
307.0666
MDL Number:
MFCD12431229
IUPAC Name:
2-(2-bromophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C10H6BrF3N2O/c11-6-3-1-2-4-7(6)16-9(17)5-8(15-16)10(12,13)14/h1-5,15H
InChI Key:
FDWWIJXAQOVGMY-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccccc1Br)C(F)(F)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.07g/mol
Monoisotopic Mass:
305.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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