| CAS Number | 1355247-48-1 |
| Catalog Number | AG009X7Y(AGN-PC-0J0YEK) |
| Chemical Name | Methyl 3-(3-aminophenyl)-5-fluorobenzoate, HCl |
| IUPAC Name | methyl 3-(3-aminophenyl)-5-fluorobenzoate;hydrochloride |
| InChI | InChI=1S/C14H12FNO2.ClH/c1-18-14(17)11-5-10(6-12(15)7-11)9-3-2-4-13(16)8-9;/h2-8H,16H2,1H3;1H |
| InChI Key | JIBDUUFPHJJEBT-UHFFFAOYSA-N |
| MDL Number | MFCD21332967 |
| Molecular Formula | C14H13ClFNO2 |
| Molecular Weight | 281.7099 |
| SMILES | COC(=O)c1cc(F)cc(c1)c1cccc(c1)N.Cl |
| Synonyms | 1355247-48-1,
Methyl 3'-amino-5-fluoro-[1,1'-biphenyl]-3-carboxylate hydrochloride,
Methyl 3-(3-aminophenyl)-5-fluorobenzoate HCl,
Methyl 3-(3-aminophenyl)-5-fluorobenzoate hydrochloride,
METHYL 3-(3-AMINOPHENYL)-5-FLUOROBENZOATE, HCL,
C14H12FNO2.HCl,
CTK8C5258,
DTXSID70743972,
ANW-74924,
MFCD21332967,
AX8243320,
TC-163669,
Z9974,
B-8531,
Methyl 3'-amino-5-fluoro[1,1'-biphenyl]-3-carboxylate--hydrogen chloride (1/1),
Methyl3'-amino-5-fluoro-[1,1'-biphenyl]-3-carboxylatehydrochloride,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.711g/mol |
| Monoisotopic Mass | 281.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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