Methyl 2-fluoro-4-methyl-5-nitrobenzoate - CAS 753924-48-0
Catalog: |
BB076009 |
Product Name: |
Methyl 2-fluoro-4-methyl-5-nitrobenzoate |
CAS: |
753924-48-0 |
Synonyms: |
methyl 2-fluoro-4-methyl-5-nitrobenzoate; 2-Fluoro-4-methyl-5-nitro-benzoic acid methyl ester; Benzoic acid, 2-fluoro-4-methyl-5-nitro-, methyl ester; methyl2-fluoro-4-methyl-5-nitrobenzoate |
IUPAC Name: | methyl 2-fluoro-4-methyl-5-nitrobenzoate |
Description: | Methyl 2-fluoro-4-methyl-5-nitrobenzoate |
Molecular Weight: | 213.16 |
Molecular Formula: | C9H8FNO4 |
Canonical SMILES: | CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC)F |
InChI: | InChI=1S/C9H8FNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3 |
InChI Key: | GBECACDDVVYBHV-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0437359 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0437359 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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