| CAS Number | 953736-14-6 |
| Catalog Number | AG019NEB |
| Chemical Name | N-(3-Fluoro-4-methylphenyl)urea |
| IUPAC Name | (3-fluoro-4-methylphenyl)urea |
| InChI | InChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12) |
| InChI Key | FIPCHQOGEGTUGD-UHFFFAOYSA-N |
| MDL Number | MFCD09727592 |
| Molecular Formula | C8H9FN2O |
| Molecular Weight | 168.1683 |
| SMILES | CC1=C(F)C=C(NC(N)=O)C=C1 |
| Synonyms | 1-(3-fluoro-4-methylphenyl)urea,
(3-fluoro-4-methylphenyl)urea,
N-(3-fluoro-4-methylphenyl)urea,
953736-14-6,
AC1Q2FH8,
SCHEMBL2755843,
CTK7D3524,
BBL004596,
MFCD09727592,
STL124187,
ZINC22161331,
AKOS000136444,
MCULE-5075203592,
H5258,
EN300-40183,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.171g/mol |
| Monoisotopic Mass | 168.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number