| CAS Number | 1215206-01-1 |
| Catalog Number | AG001568(AGN-PC-0WA9GM) |
| Chemical Name | 4-(Benzyloxy)-3-bromo-5-fluoroaniline |
| IUPAC Name | 3-bromo-5-fluoro-4-phenylmethoxyaniline |
| InChI | InChI=1S/C13H11BrFNO/c14-11-6-10(16)7-12(15)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2 |
| InChI Key | XCHGNLNSKCOJMN-UHFFFAOYSA-N |
| MDL Number | MFCD15143448 |
| Molecular Formula | C13H11BrFNO |
| Molecular Weight | 296.1349 |
| SMILES | NC1=CC(F)=C(OCC2=CC=CC=C2)C(Br)=C1 |
| Synonyms | 4-(BENZYLOXY)-3-BROMO-5-FLUOROANILINE,
1215206-01-1,
ACMC-209aco,
CTK4B2448,
DTXSID00681479,
ANW-17686,
MFCD15143448,
ZINC65336840,
AKOS015839417,
FCH2818954,
AJ-114896,
AX8229520,
ST2405415,
TR-034564,
Z8381,
A-5466,
Benzenamine, 3-bromo-5-fluoro-4-(phenylmethoxy)-,
I14-25134,
C13H11BrFNO,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.139g/mol |
| Monoisotopic Mass | 295.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number