2-Fluoro-4-nitrobenzoic Acid - CAS 403-24-7
Catalog: |
BB024453 |
Product Name: |
2-Fluoro-4-nitrobenzoic Acid |
CAS: |
403-24-7 |
Synonyms: |
2-fluoro-4-nitrobenzoic acid; 2-fluoro-4-nitrobenzoic acid |
IUPAC Name: | 2-fluoro-4-nitrobenzoic acid |
Description: | 2-Fluoro-4-nitrobenzoic Acid (CAS# 403-24-7) is a useful research chemical. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
InChI: | InChI=1S/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
InChI Key: | MMWFMFZFCKADEL-UHFFFAOYSA-N |
Boiling Point: | 352.5 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
MDL: | MFCD00275565 |
LogP: | 1.95530 |
GHS Hazard Statement: | H302 (85.42%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21583115 | 20090514 | 5-(2-Fluoro-4-nitro-phen-yl)-1,3,4-thia-diazole-2-amine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.01243577 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.01243577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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