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1260656-52-7 | Ethanone, 1-(4-amino-5-bromo-2,3-difluorophenyl)-
CAS No: 1260656-52-7 Catalog No: AG000QZ5 MDL No:
Product Description
Catalog Number:
AG000QZ5
Chemical Name:
Ethanone, 1-(4-amino-5-bromo-2,3-difluorophenyl)-
CAS Number:
1260656-52-7
Molecular Formula:
C8H6BrF2NO
Molecular Weight:
250.0401
IUPAC Name:
1-(4-amino-5-bromo-2,3-difluorophenyl)ethanone
InChI:
InChI=1S/C8H6BrF2NO/c1-3(13)4-2-5(9)8(12)7(11)6(4)10/h2H,12H2,1H3
InChI Key:
TXQFIAZOPVDFCD-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Br)c(c(c1F)F)N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.043g/mol
Monoisotopic Mass:
248.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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