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20246-81-5 | [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-dinitro-
CAS No: 20246-81-5 Catalog No: AG00288W MDL No:
Product Description
Catalog Number:
AG00288W
Chemical Name:
[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4'-dinitro-
CAS Number:
20246-81-5
Molecular Formula:
C14H8N2O8
Molecular Weight:
332.2219
IUPAC Name:
2-(2-carboxy-4-nitrophenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H8N2O8/c17-13(18)11-5-7(15(21)22)1-3-9(11)10-4-2-8(16(23)24)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
CDYUHLLQUAYYHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1c1ccc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
128627
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.224g/mol
Monoisotopic Mass:
332.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. | PloS one 20120101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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