| CAS Number | 1039852-38-4 |
| Catalog Number | AG00J6RY(AGN-PC-05FQXK) |
| Chemical Name | [(3-fluorophenyl)methyl]urea |
| IUPAC Name | (3-fluorophenyl)methylurea |
| InChI | InChI=1S/C8H9FN2O/c9-7-3-1-2-6(4-7)5-11-8(10)12/h1-4H,5H2,(H3,10,11,12) |
| InChI Key | KMDBYQHBKWOBMN-UHFFFAOYSA-N |
| MDL Number | MFCD11192631 |
| Molecular Formula | C8H9FN2O |
| Molecular Weight | 168.1683 |
| SMILES | NC(NCC1=CC(F)=CC=C1)=O |
| Synonyms | [(3-fluorophenyl)methyl]urea,
1039852-38-4,
N-(3-fluorobenzyl)urea,
3-(3-fluorobenzyl)urea,
AC1Q4ZWN,
SCHEMBL1490532,
KMDBYQHBKWOBMN-UHFFFAOYSA-N,
ZINC20473623,
AKOS009259730,
MCULE-1971307249,
NE22964,
EN300-69103,
Z432780622,
|
| Complexity | 163 |
| 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 | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number