| CAS Number | 943894-77-7 |
| Catalog Number | AG00II4L(AGN-PC-0WBS0Z) |
| Chemical Name | (2-(Difluoromethoxy)pyridin-4-yl)methanamine |
| IUPAC Name | [2-(difluoromethoxy)pyridin-4-yl]methanamine |
| InChI | InChI=1S/C7H8F2N2O/c8-7(9)12-6-3-5(4-10)1-2-11-6/h1-3,7H,4,10H2 |
| InChI Key | LNUNPTNLRWDQQO-UHFFFAOYSA-N |
| MDL Number | MFCD18261339 |
| Molecular Formula | C7H8F2N2O |
| Molecular Weight | 174.1480 |
| SMILES | NCC1=CC(OC(F)F)=NC=C1 |
| Synonyms | (2-(difluoromethoxy)pyridin-4-yl)methanamine,
943894-77-7,
[2-(difluoromethoxy)pyridin-4-yl]methanamine,
SCHEMBL13164105,
DTXSID30732120,
ZINC91351525,
AKOS016014814,
RL05931,
AJ-130441,
4-Pyridinemethanamine, 2-(difluoromethoxy)-,
1-[2-(Difluoromethoxy)pyridin-4-yl]methanamine,
J-500525,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.151g/mol |
| Monoisotopic Mass | 174.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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