| CAS Number | 903708-97-4 |
| Catalog Number | AG019KOM |
| Chemical Name | 1-(4-nitrophenyl)-3-[(oxolan-2-yl)methyl]urea |
| IUPAC Name | 1-(4-nitrophenyl)-3-(oxolan-2-ylmethyl)urea |
| InChI | InChI=1S/C12H15N3O4/c16-12(13-8-11-2-1-7-19-11)14-9-3-5-10(6-4-9)15(17)18/h3-6,11H,1-2,7-8H2,(H2,13,14,16) |
| InChI Key | HBCMTQIGRGIELL-UHFFFAOYSA-N |
| MDL Number | MFCD07044883 |
| Molecular Formula | C12H15N3O4 |
| Molecular Weight | 265.2652 |
| SMILES | [O-][N+](C1=CC=C(NC(NCC2OCCC2)=O)C=C1)=O |
| Synonyms | 1-(4-nitrophenyl)-3-(oxolan-2-ylmethyl)urea,
903708-97-4,
N-(4-nitrophenyl)-N'-(tetrahydrofuran-2-ylmethyl)urea,
AC1Q1XSJ,
AKOS029969177,
MCULE-2063714928,
NE20108,
EN300-27787,
1-(4-nitrophenyl)-3-[(oxolan-2-yl)methyl]urea,
Z44586000,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.269g/mol |
| Monoisotopic Mass | 265.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number