| CAS Number | 1515925-06-0 |
| Catalog Number | AG01C0F5 |
| Chemical Name | [2-chloro-6-(difluoromethoxy)phenyl]methanamine |
| IUPAC Name | [2-chloro-6-(difluoromethoxy)phenyl]methanamine |
| InChI | InChI=1S/C8H8ClF2NO/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-3,8H,4,12H2 |
| InChI Key | VDGSSNZLWMVYIX-UHFFFAOYSA-N |
| MDL Number | MFCD23841190 |
| Molecular Formula | C8H8ClF2NO |
| Molecular Weight | 207.6050 |
| SMILES | NCC1=C(OC(F)F)C=CC=C1Cl |
| Synonyms | 1515925-06-0,
(2-Chloro-6-(difluoromethoxy)phenyl)methanamine,
2-Chloro-6-(difluoromethoxy)benzyl amine,
Benzenemethanamine, 2-chloro-6-(difluoromethoxy)-,
[2-chloro-6-(difluoromethoxy)phenyl]methanamine,
SCHEMBL15540477,
ZINC94722739,
AKOS018695866,
2-Chloro-6-(difluoromethoxy)benzylamine,
CS-16717,
CS-0102654,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.026248g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.6g/mol |
| Monoisotopic Mass | 207.026248g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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