| CAS Number | 76243-25-9 |
| Catalog Number | AG00GCJ7(AGN-PC-0WBVUM) |
| Chemical Name | 4-(Benzyloxy)-3-fluoroaniline hydrochloride |
| IUPAC Name | 3-fluoro-4-phenylmethoxyaniline;hydrochloride |
| InChI | InChI=1S/C13H12FNO.ClH/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10;/h1-8H,9,15H2;1H |
| InChI Key | GWWCZRDLDLFAIR-UHFFFAOYSA-N |
| MDL Number | MFCD09910240 |
| Molecular Formula | C13H13ClFNO |
| Molecular Weight | 253.6998 |
| SMILES | Cl.NC1=CC(F)=C(OCC2=CC=CC=C2)C=C1 |
| Synonyms | 4-(BENZYLOXY)-3-FLUOROANILINE HYDROCHLORIDE,
76243-25-9,
4-(Benzyloxy)-3-fluoroaniline HCl,
SCHEMBL11418706,
CTK7D6777,
DTXSID20633117,
9373AE,
MFCD09910240,
4-Benzyloxy-3-fluoro-phenylamine HCl,
AKOS015846743,
TR-046886,
4-benzyloxy-3-fluorophenylamine hydrochloride,
4-benzyloxy-3-fluoro-phenylamine hydrochloride,
B67536,
4-(Benzyloxy)-3-fluoroaniline--hydrogen chloride (1/1),
C13H13ClFNO,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.701g/mol |
| Monoisotopic Mass | 253.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number