2-Fluoro-4-methyl-5-nitrobenzoic acid - CAS 753924-40-2
Catalog: |
BB064983 |
Product Name: |
2-Fluoro-4-methyl-5-nitrobenzoic acid |
CAS: |
753924-40-2 |
Synonyms: |
2-Fluoro-4-methyl-5-nitrobenzoic acid; 2-Fluoro-4-methyl-5-nitro-benzoic acid; Benzoic acid, 2-fluoro-4-methyl-5-nitro- (9CI); Benzoic acid, 2-fluoro-4-methyl-5-nitro- |
IUPAC Name: | 2-fluoro-4-methyl-5-nitrobenzoic acid |
Description: | 2-Fluoro-4-methyl-5-nitrobenzoic acid |
Molecular Weight: | 199.14 |
Molecular Formula: | C8H6FNO4 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F |
InChI: | InChI=1S/C8H6FNO4/c1-4-2-6(9)5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12) |
InChI Key: | UBAWHHHAAFFKGE-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.02808583 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.02808583 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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