| CAS Number | 1038981-17-7 |
| Catalog Number | AG01AB30(AGN-PC-0WO7R9) |
| Chemical Name | 4-(difluoromethoxy)-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-(difluoromethoxy)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-2-1-3-5-6(4)12-8(11)14-5/h1-3,7H,(H2,11,12) |
| InChI Key | JUHFOUUZNXNWQE-UHFFFAOYSA-N |
| MDL Number | MFCD11189737 |
| Molecular Formula | C8H6F2N2OS |
| Molecular Weight | 216.2078 |
| SMILES | FC(OC1=CC=CC2=C1N=C(S2)N)F |
| Synonyms | 4-(difluoromethoxy)-1,3-benzothiazol-2-amine,
1038981-17-7,
AC1Q530U,
SCHEMBL1018686,
ZINC20432690,
AKOS009253127,
NE53608,
2-Amino-4-(difluoromethoxy)benzothiazole,
4-(Difluoromethoxy)benzo[d]thiazol-2-amine,
EN300-70325,
Z1263820401,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.206g/mol |
| Monoisotopic Mass | 216.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number