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88563-25-1 | Pentane, 1,1,1,5,5,5-hexabromo-3-methylene-
CAS No: 88563-25-1 Catalog No: AG004DPS MDL No:
Product Description
Catalog Number:
AG004DPS
Chemical Name:
Pentane, 1,1,1,5,5,5-hexabromo-3-methylene-
CAS Number:
88563-25-1
Molecular Formula:
C6H6Br6
Molecular Weight:
557.5358
IUPAC Name:
1,1,1,5,5,5-hexabromo-3-methylidenepentane
InChI:
InChI=1S/C6H6Br6/c1-4(2-5(7,8)9)3-6(10,11)12/h1-3H2
InChI Key:
PQJJJRLNPKAVBW-UHFFFAOYSA-N
SMILES:
C=C(CC(Br)(Br)Br)CC(Br)(Br)Br
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.551g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
557.538g/mol
Monoisotopic Mass:
551.557g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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