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113446-76-7 | Anthracene, 1,4,5,8-tetrabromo-1,2,3,4,5,6,7,8-octahydro-
CAS No: 113446-76-7 Catalog No: AG0008N2 MDL No:
Product Description
Catalog Number:
AG0008N2
Chemical Name:
Anthracene, 1,4,5,8-tetrabromo-1,2,3,4,5,6,7,8-octahydro-
CAS Number:
113446-76-7
Molecular Formula:
C14H14Br4
Molecular Weight:
501.8770
IUPAC Name:
1,4,5,8-tetrabromo-1,2,3,4,5,6,7,8-octahydroanthracene
InChI:
InChI=1S/C14H14Br4/c15-11-1-2-12(16)8-6-10-9(5-7(8)11)13(17)3-4-14(10)18/h5-6,11-14H,1-4H2
InChI Key:
MGDZQNRRYGMKCS-UHFFFAOYSA-N
SMILES:
BrC1CCC(c2c1cc1C(Br)CCC(c1c2)Br)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.779g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
501.882g/mol
Monoisotopic Mass:
497.783g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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