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138144-04-4 | Benzene, 1,2,3,4,5-pentabromo-6-[2-(tetrabromophenyl)ethyl]-
CAS No: 138144-04-4 Catalog No: AG00180Y MDL No:
Product Description
Catalog Number:
AG00180Y
Chemical Name:
Benzene, 1,2,3,4,5-pentabromo-6-[2-(tetrabromophenyl)ethyl]-
CAS Number:
138144-04-4
Molecular Formula:
C14H5Br9
Molecular Weight:
892.3255
IUPAC Name:
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5-tetrabromophenyl)ethyl]benzene
InChI:
InChI=1S/C14H5Br9/c15-6-3-4(7(16)11(20)10(6)19)1-2-5-8(17)12(21)14(23)13(22)9(5)18/h3H,1-2H2
InChI Key:
XNPJNISOXKQOSN-UHFFFAOYSA-N
SMILES:
Brc1cc(CCc2c(Br)c(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
891.296g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
892.33g/mol
Monoisotopic Mass:
883.304g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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