| CAS Number | 1267629-05-9 |
| Catalog Number | AG00A04F(AGN-PC-0WNPUC) |
| Chemical Name | 5-amino-7-fluorobenzo[d]oxazol-2(3H)-one |
| IUPAC Name | 5-amino-7-fluoro-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C7H5FN2O2/c8-4-1-3(9)2-5-6(4)12-7(11)10-5/h1-2H,9H2,(H,10,11) |
| InChI Key | KHSFMCUKXDWJNQ-UHFFFAOYSA-N |
| MDL Number | MFCD19374561 |
| Molecular Formula | C7H5FN2O2 |
| Molecular Weight | 168.1252 |
| SMILES | C1=C(C=C(C2=C1NC(=O)O2)F)N |
| Synonyms | 5-Amino-7-fluorobenzo[d]oxazol-2(3H)-one,
1267629-05-9,
SCHEMBL18062718,
MFCD19374561,
ZINC62498565,
AS-41074,
5-Amino-7-fluoro-1,3-benzoxazol-2(3H)-one,
5-amino-7-fluorobenzo[d]oxazol-2(3H)-one, 95% - 1G 1g,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.127g/mol |
| Monoisotopic Mass | 168.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number