| CAS Number | 132667-21-1 |
| Catalog Number | AG0010Z0(AGN-PC-0NKMSC) |
| Chemical Name | 6-amino-5-fluoro-2,3-dihydro-1,3-benzoxazol-2-one |
| IUPAC Name | 6-amino-5-fluoro-3H-1,3-benzoxazol-2-one |
| InChI | InChI=1S/C7H5FN2O2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,9H2,(H,10,11) |
| InChI Key | YJMOFMQECPDZKB-UHFFFAOYSA-N |
| MDL Number | MFCD20702455 |
| Molecular Formula | C7H5FN2O2 |
| Molecular Weight | 168.1252 |
| SMILES | NC1=C(F)C=C2C(OC(N2)=O)=C1 |
| Synonyms | 132667-21-1,
2(3H)-Benzoxazolone, 6-amino-5-fluoro-,
6-amino-5-fluoro-2,3-dihydro-1,3-benzoxazol-2-one,
ACMC-20mum1,
SCHEMBL7067142,
CTK0F4987,
DTXSID00576710,
YJMOFMQECPDZKB-UHFFFAOYSA-N,
6-amino-5-fluoro-benzoxazol-2-one,
ZINC34626705,
6-amino-5-fluoro-benzoxazolin-2-one,
AKOS022530520,
6-Amino-5-fluoro-2(3H)-benzoxazolone,
6-Amino-5-fluoro-1,3-benzoxazol-2(3H)-one,
Z2513336530,
6-amino-5-fluorobenzo[d]oxazol-2(3H)-one,
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| 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
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Certificate of Analysis
Lot Number