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23162-64-3 | 2-Propanone, 1,1,1,3,3,3-hexabromo-
CAS No: 23162-64-3 Catalog No: AG002MFH MDL No:
Product Description
Catalog Number:
AG002MFH
Chemical Name:
2-Propanone, 1,1,1,3,3,3-hexabromo-
CAS Number:
23162-64-3
Molecular Formula:
C3Br6O
Molecular Weight:
531.4555
IUPAC Name:
1,1,1,3,3,3-hexabromopropan-2-one
InChI:
InChI=1S/C3Br6O/c4-2(5,6)1(10)3(7,8)9
InChI Key:
IHAWQAMKUMLDIT-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(Br)Br)C(Br)(Br)Br
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.499g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
531.456g/mol
Monoisotopic Mass:
525.505g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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