| CAS Number | 771571-67-6 |
| Catalog Number | AG005PCU(AGN-PC-0UB6IC) |
| Chemical Name | 2-[2-(difluoromethoxy)phenyl]ethan-1-amine |
| IUPAC Name | 2-[2-(difluoromethoxy)phenyl]ethanamine |
| InChI | InChI=1S/C9H11F2NO/c10-9(11)13-8-4-2-1-3-7(8)5-6-12/h1-4,9H,5-6,12H2 |
| InChI Key | OXRNGPWAFSPUEQ-UHFFFAOYSA-N |
| MDL Number | MFCD06213454 |
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.1865 |
| SMILES | NCCC1=C(OC(F)F)C=CC=C1 |
| Synonyms | 2-[2-(difluoromethoxy)phenyl]ethan-1-amine,
771571-67-6,
Benzeneethanamine,2-(difluoromethoxy)-,
SCHEMBL9843826,
CTK5E3936,
DTXSID30617024,
1428AJ,
ZINC19273563,
AKOS000151964,
NE25005,
Benzeneethanamine,2- -,
C9H11F2NO,
Benzeneethanamine, 2-(difluoromethoxy)- (9CI),
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.19g/mol |
| Monoisotopic Mass | 187.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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