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13810-83-8 | 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-
CAS No: 13810-83-8 Catalog No: AG001809 MDL No:
Product Description
Catalog Number:
AG001809
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-
CAS Number:
13810-83-8
Molecular Formula:
C8H2Br4O4
Molecular Weight:
481.7151
IUPAC Name:
3,4,5,6-tetrabromophthalic acid
InChI:
InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
InChI Key:
XIRDTMSOGDWMOX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br
UNII:
97IHX0537R
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.665g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
481.716g/mol
Monoisotopic Mass:
477.669g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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