2-Chloro-4-hydroxy-5-nitrobenzoic acid - CAS 792952-51-3
Catalog: |
BB069697 |
Product Name: |
2-Chloro-4-hydroxy-5-nitrobenzoic acid |
CAS: |
792952-51-3 |
Synonyms: |
2-Chloro-4-hydroxy-5-nitrobenzoic acid; 2-Chloro-4-hydroxy-5-nitrobenzoicacid; 2-Chloro-4-hydroxy-5-nitro-benzoic acid |
IUPAC Name: | 2-chloro-4-hydroxy-5-nitrobenzoic acid |
Description: | 2-Chloro-4-hydroxy-5-nitrobenzoic acid |
Molecular Weight: | 217.56 |
Molecular Formula: | C7H4ClNO5 |
Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])O)Cl)C(=O)O |
InChI: | InChI=1S/C7H4ClNO5/c8-4-2-6(10)5(9(13)14)1-3(4)7(11)12/h1-2,10H,(H,11,12) |
InChI Key: | POXKNUFPZVKHIL-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.9777999 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.9777999 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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