| CAS Number | 1504965-88-1 |
| Catalog Number | AG001MN9(AGN-PC-0HS7ZC) |
| Chemical Name | Benzoic acid, 5-amino-2-fluoro-4-methyl-, methyl ester |
| IUPAC Name | methyl 5-amino-2-fluoro-4-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-3-7(10)6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | JEGPFOWHUQYGMT-UHFFFAOYSA-N |
| MDL Number | MFCD23863661 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | CC1=CC(=C(C=C1N)C(=O)OC)F |
| Synonyms | methyl 5-amino-2-fluoro-4-methylbenzoate,
1504965-88-1,
SCHEMBL12164839,
MFCD23863661,
ZINC87331343,
AKOS018829111,
AK342541,
AS-46365,
5-Amino-2-fluoro-4-methyl-benzoic acid methyl ester,
Benzoic acid, 5-amino-2-fluoro-4-methyl-, methyl ester,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.182g/mol |
| Monoisotopic Mass | 183.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number