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86867-15-4 | 2-Butanone, 1,1,1,3,4-pentabromo-4-phenyl-
CAS No: 86867-15-4 Catalog No: AG004PIW MDL No:
Product Description
Catalog Number:
AG004PIW
Chemical Name:
2-Butanone, 1,1,1,3,4-pentabromo-4-phenyl-
CAS Number:
86867-15-4
Molecular Formula:
C10H7Br5O
Molecular Weight:
542.6820
IUPAC Name:
1,1,1,3,4-pentabromo-4-phenylbutan-2-one
InChI:
InChI=1S/C10H7Br5O/c11-7(6-4-2-1-3-5-6)8(12)9(16)10(13,14)15/h1-5,7-8H
InChI Key:
BBSMCMVMCUVAEO-UHFFFAOYSA-N
SMILES:
BrC(C(C(=O)C(Br)(Br)Br)Br)c1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
541.637g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.685g/mol
Monoisotopic Mass:
537.641g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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