| CAS Number | 1389287-35-7 |
| Catalog Number | AG019EP1 |
| Chemical Name | [1,1-Biphenyl]-3-carboxylic acid, 4-amino-2-fluoro-, methyl ester |
| IUPAC Name | methyl 6-amino-2-fluoro-3-phenylbenzoate |
| InChI | InChI=1S/C14H12FNO2/c1-18-14(17)12-11(16)8-7-10(13(12)15)9-5-3-2-4-6-9/h2-8H,16H2,1H3 |
| InChI Key | NGCZWPXENJAZHK-UHFFFAOYSA-N |
| MDL Number | MFCD23164085 |
| Molecular Formula | C14H12FNO2 |
| Molecular Weight | 245.2490 |
| SMILES | C=1(C(=C(C(=CC1)N)C(=O)OC)F)C=2C=CC=CC2 |
| Synonyms | 1389287-35-7,
Methyl 4-amino-2-fluoro-[1,1'-biphenyl]-3-carboxylate,
[1,1-Biphenyl]-3-carboxylic acid, 4-amino-2-fluoro-, methyl ester,
CS-0059849,
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.253g/mol |
| Monoisotopic Mass | 245.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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