| CAS Number | 1079993-18-2 |
| Catalog Number | AG01FR4D(AGN-PC-3H5PG4) |
| Chemical Name | 3-Amino-4-fluoro-2-methyl-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-4-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4H,11H2,1-2H3 |
| InChI Key | XDLABKPUGZTDBB-UHFFFAOYSA-N |
| MDL Number | MFCD24643109 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | NC=1C(=C(C(=O)OC)C=CC1F)C |
| Synonyms | methyl 3-amino-4-fluoro-2-methylbenzoate,
1079993-18-2,
SCHEMBL543296,
XDLABKPUGZTDBB-UHFFFAOYSA-N,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.069557g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.18g/mol |
| Monoisotopic Mass | 183.069557g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number