2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid - CAS 376591-95-6
Catalog: |
BB042583 |
Product Name: |
2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid |
CAS: |
376591-95-6 |
Synonyms: |
[1,1'-Biphenyl]-3-carboxylicacid, 2'-hydroxy-3'-nitro- |
IUPAC Name: | 3-(2-hydroxy-3-nitrophenyl)benzoic acid |
Description: | 2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid (CAS# 376591-95-6 ) is a useful research chemical. |
Molecular Weight: | 259.21 |
Molecular Formula: | C13H9NO5 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])O |
InChI: | InChI=1S/C13H9NO5/c15-12-10(5-2-6-11(12)14(18)19)8-3-1-4-9(7-8)13(16)17/h1-7,15H,(H,16,17) |
InChI Key: | JCFPSTQCDAZKJN-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.04807239 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.04807239 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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