| CAS Number | 852146-73-7 |
| Catalog Number | AG00GLWZ(AGN-PC-007PTB) |
| Chemical Name | KR-32568 |
| IUPAC Name | N-(diaminomethylidene)-5-(5-fluoro-2-methylphenyl)furan-2-carboxamide |
| InChI | InChI=1S/C13H12FN3O2/c1-7-2-3-8(14)6-9(7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18) |
| InChI Key | DTLDHYBZLVASJQ-UHFFFAOYSA-N |
| MDL Number | MFCD08705324 |
| Molecular Formula | C13H12FN3O2 |
| Molecular Weight | 261.2517 |
| SMILES | C(N)(=N)NC(=O)C=1OC(=CC1)C1=C(C=CC(=C1)F)C |
| Synonyms | (5-(2-methyl-5-fluorophenyl)furan-2-ylcarbonyl)guanidine,
KR-32568,
KR-32568,
CHEMBL189789,
852146-73-7,
[5-(2-Methyl-5-fluorophenyl)furan-2-ylcarbonyl]guanidine,
SCHEMBL1330592,
DTXSID60463814,
BDBM50165247,
MFCD08705324,
ZINC13829395,
API0008299,
NCGC00165818-01,
KR-32568, >=98% (HPLC), solid,
N-[5-(5-Fluoro-2-methyl-phenyl)-furan-2-carbonyl]-guanidine,
K4389_SIGMA,
CID11368995,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.256g/mol |
| Monoisotopic Mass | 261.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number