| CAS Number | 69921-71-7 |
| Catalog Number | AG019WQK |
| Chemical Name | 1-(3,4-Difluorophenyl)-3-(prop-2-yn-1-yl)urea |
| IUPAC Name | 1-(3,4-difluorophenyl)-3-prop-2-ynylurea |
| InChI | InChI=1S/C10H8F2N2O/c1-2-5-13-10(15)14-7-3-4-8(11)9(12)6-7/h1,3-4,6H,5H2,(H2,13,14,15) |
| InChI Key | NPDKISSXMVNCNJ-UHFFFAOYSA-N |
| MDL Number | MFCD13195856 |
| Molecular Formula | C10H8F2N2O |
| Molecular Weight | 210.1801 |
| SMILES | FC1=C(F)C=C(NC(NCC#C)=O)C=C1 |
| Synonyms | 1-(3,4-difluorophenyl)-3-(prop-2-yn-1-yl)urea,
1-(3,4-difluorophenyl)-3-prop-2-yn-1-ylurea,
69921-71-7,
EN300-52829,
AC1Q4LDH,
CTK5J0796,
ZINC38342104,
AKOS034291305,
MCULE-4768781200,
NE38640,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.184g/mol |
| Monoisotopic Mass | 210.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number