| CAS Number | 952479-98-0 |
| Catalog Number | AG00667F(AGN-PC-0W4TO8) |
| Chemical Name | Methyl 2-amino-5-fluoro-3-methylbenzoate |
| IUPAC Name | methyl 2-amino-5-fluoro-3-methylbenzoate |
| InChI | InChI=1S/C9H10FNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | FZVXQHDTZQYNMO-UHFFFAOYSA-N |
| MDL Number | MFCD11977398 |
| Molecular Formula | C9H10FNO2 |
| Molecular Weight | 183.1796 |
| SMILES | CC1=CC(=CC(=C1N)C(=O)OC)F |
| Synonyms | METHYL 2-AMINO-5-FLUORO-3-METHYLBENZOATE,
952479-98-0,
SCHEMBL1060105,
CTK5H7590,
DTXSID10696973,
FZVXQHDTZQYNMO-UHFFFAOYSA-N,
ZINC37475482,
CM-1632,
AJ-94026,
methyl 2-amino-5-fluoro-3-methyl-benzoate,
methyl 2-azanyl-5-fluoranyl-3-methyl-benzoate,
A845250,
2-amino-5-fluoro-3-methylbenzoic acid methyl ester,
BENZOICACID, 2-AMINO-5-FLUORO-3-METHYL-, METHYL ESTER,
Benzoic acid, 2-amino-5-fluoro-3-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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number