2,5-Difluoro-3-nitrobenzoic acid - CAS 741721-49-3
Catalog: |
BB067773 |
Product Name: |
2,5-Difluoro-3-nitrobenzoic acid |
CAS: |
741721-49-3 |
Synonyms: |
2,5-DIFLUORO-3-NITROBENZOIC ACID; Benzoic acid, 2,5-difluoro-3-nitro-; 2,5-difluoro-3-nitro-benzoic acid |
IUPAC Name: | 2,5-difluoro-3-nitrobenzoic acid |
Description: | 2,5-Difluoro-3-nitrobenzoic acid |
Molecular Weight: | 203.1 |
Molecular Formula: | C7H3F2NO4 |
Canonical SMILES: | C1=C(C=C(C(=C1C(=O)O)F)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H3F2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12) |
InChI Key: | KMUYMGMBJNSLQM-UHFFFAOYSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.0030139 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.0030139 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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