| CAS Number | 1638767-86-8 |
| Catalog Number | AG001UHT(AGN-PC-0WAM2F) |
| Chemical Name | [2-(1,1-difluoroethyl)phenyl]methanamine |
| IUPAC Name | [2-(1,1-difluoroethyl)phenyl]methanamine |
| InChI | InChI=1S/C9H11F2N/c1-9(10,11)8-5-3-2-4-7(8)6-12/h2-5H,6,12H2,1H3 |
| InChI Key | NRWYQKMFOPAOQA-UHFFFAOYSA-N |
| MDL Number | MFCD27500639 |
| Molecular Formula | C9H11F2N |
| Molecular Weight | 171.1871 |
| SMILES | CC(C1=C(CN)C=CC=C1)(F)F |
| Synonyms | 2-(1,1-Difluoroethyl)benzylamine,
1638767-86-8,
(2-(1,1-Difluoroethyl)phenyl)methanamine,
[2-(1,1-difluoroethyl)phenyl]methanamine,
ZINC96024898,
SB22935,
SY026673,
Benzenemethanamine, 2-(1,1-difluoroethyl)-,
CS-0069371,
MFCD27500639 (95%),
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.191g/mol |
| Monoisotopic Mass | 171.086g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number