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77404-71-8 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexabromo-
CAS No: 77404-71-8 Catalog No: AG005BJZ MDL No:
Product Description
Catalog Number:
AG005BJZ
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexabromo-
CAS Number:
77404-71-8
Molecular Formula:
C9H4Br6O4
Molecular Weight:
655.5497
IUPAC Name:
1,4,5,6,7,7-hexabromobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChI:
InChI=1S/C9H4Br6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
InChI Key:
VUKXBRBGWXWGNC-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)C2(C(C1(Br)C(=C2Br)Br)(Br)Br)Br
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
655.515g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
655.551g/mol
Monoisotopic Mass:
649.521g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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