| CAS Number | 1131007-45-8 |
| Catalog Number | AG00HCH2(AGN-PC-0WD4O6) |
| Chemical Name | 6-(trifluoromethoxy)pyridin-2-amine |
| IUPAC Name | 6-(trifluoromethoxy)pyridin-2-amine |
| InChI | InChI=1S/C6H5F3N2O/c7-6(8,9)12-5-3-1-2-4(10)11-5/h1-3H,(H2,10,11) |
| InChI Key | ANASNIOXOHMDMN-UHFFFAOYSA-N |
| MDL Number | MFCD20542914 |
| Molecular Formula | C6H5F3N2O |
| Molecular Weight | 178.1119 |
| SMILES | O(C(F)(F)F)c1nc(N)ccc1 |
| Synonyms | 6-(Trifluoromethoxy)pyridin-2-amine,
1131007-45-8,
SCHEMBL2302655,
MFCD20542914,
ZINC95933682,
AKOS022185712,
2-Pyridinamine, 6-(trifluoromethoxy)-,
FCH1198217,
SB21559,
AK146243,
AS-46808,
PC448032,
AJ-138210,
ST2406387,
4CH-003856,
CS-0080621,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.114g/mol |
| Monoisotopic Mass | 178.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302+H312-H315-H319-H331-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P305+P351+P338-P311
|
|
UN Code
|
UN 2810
|
Certificate of Analysis
Lot Number