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14401-73-1 | Ethanone, 1-(3,5-dibromophenyl)-
CAS No: 14401-73-1 Catalog No: AG001ISN MDL No:MFCD00078665
Product Description
Catalog Number:
AG001ISN
Chemical Name:
Ethanone, 1-(3,5-dibromophenyl)-
CAS Number:
14401-73-1
Molecular Formula:
C8H6Br2O
Molecular Weight:
277.9406
MDL Number:
MFCD00078665
IUPAC Name:
1-(3,5-dibromophenyl)ethanone
InChI:
InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key:
NHFJDRRYVMJBRJ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Br)cc(c1)Br
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.876g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.943g/mol
Monoisotopic Mass:
275.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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