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13974-99-7 | [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 5,5'-dibromo-
CAS No: 13974-99-7 Catalog No: AG001BMI MDL No:
Product Description
Catalog Number:
AG001BMI
Chemical Name:
[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 5,5'-dibromo-
CAS Number:
13974-99-7
Molecular Formula:
C14H8Br2O4
Molecular Weight:
400.0189
IUPAC Name:
4-bromo-2-(5-bromo-2-carboxyphenyl)benzoic acid
InChI:
InChI=1S/C14H8Br2O4/c15-7-1-3-9(13(17)18)11(5-7)12-6-8(16)2-4-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
AZUKUIUXDSSJRN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1c1cc(Br)ccc1C(=O)O)Br
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.877g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.022g/mol
Monoisotopic Mass:
397.879g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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