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28471-10-5 | Benzene, pentabromo(dibromopropoxy)- (9CI)
CAS No: 28471-10-5 Catalog No: AG002VGW MDL No:
Product Description
Catalog Number:
AG002VGW
Chemical Name:
Benzene, pentabromo(dibromopropoxy)- (9CI)
CAS Number:
28471-10-5
Molecular Formula:
C9H5Br7O
Molecular Weight:
688.4634
IUPAC Name:
1,2,3,4,5-pentabromo-6-(3,3-dibromopropoxy)benzene
InChI:
InChI=1S/C9H5Br7O/c10-3(11)1-2-17-9-7(15)5(13)4(12)6(14)8(9)16/h3H,1-2H2
InChI Key:
TYUOIHUOAXUIIQ-UHFFFAOYSA-N
SMILES:
BrC(CCOc1c(Br)c(Br)c(c(c1Br)Br)Br)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
687.456g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
688.466g/mol
Monoisotopic Mass:
681.462g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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