| CAS Number | 1197753-77-7 |
| Catalog Number | AG019WVT |
| Chemical Name | 1-(2-chlorophenyl)-3-(prop-2-yn-1-yl)urea |
| IUPAC Name | 1-(2-chlorophenyl)-3-prop-2-ynylurea |
| InChI | InChI=1S/C10H9ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h1,3-6H,7H2,(H2,12,13,14) |
| InChI Key | NWYZKPJAGXDLPS-UHFFFAOYSA-N |
| MDL Number | MFCD12913235 |
| Molecular Formula | C10H9ClN2O |
| Molecular Weight | 208.6443 |
| SMILES | ClC1=C(NC(NCC#C)=O)C=CC=C1 |
| Synonyms | 1-(2-chlorophenyl)-3-(prop-2-yn-1-yl)urea,
1197753-77-7,
1-(2-chlorophenyl)-3-prop-2-yn-1-ylurea,
EN300-53292,
AC1Q3HT8,
CTK5J0802,
ZINC38342169,
AKOS009105801,
FCH4668371,
MCULE-8910995908,
NE36559,
BBV-32712087,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.645g/mol |
| Monoisotopic Mass | 208.04g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number