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127371-55-5 | Ethanone, 1-(2-bromo-4,5-difluorophenyl)-
CAS No: 127371-55-5 Catalog No: AG000WZX MDL No:MFCD23135345
Product Description
Catalog Number:
AG000WZX
Chemical Name:
Ethanone, 1-(2-bromo-4,5-difluorophenyl)-
CAS Number:
127371-55-5
Molecular Formula:
C8H5BrF2O
Molecular Weight:
235.0255
MDL Number:
MFCD23135345
IUPAC Name:
1-(2-bromo-4,5-difluorophenyl)ethanone
InChI:
InChI=1S/C8H5BrF2O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChI Key:
QNZFTJBOPKZSKH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(cc1Br)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.028g/mol
Monoisotopic Mass:
233.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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