| CAS Number | 167834-35-7 |
| Catalog Number | AG00IV3P(AGN-PC-0WAVL4) |
| Chemical Name | N-(2-methoxyethyl)-3-nitrobenzamide |
| IUPAC Name | N-(2-methoxyethyl)-3-nitrobenzamide |
| InChI | InChI=1S/C10H12N2O4/c1-16-6-5-11-10(13)8-3-2-4-9(7-8)12(14)15/h2-4,7H,5-6H2,1H3,(H,11,13) |
| InChI Key | IXJSKLULBLVZNM-UHFFFAOYSA-N |
| MDL Number | MFCD00751342 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | COCCNC(C1=CC([N+]([O-])=O)=CC=C1)=O |
| Synonyms | N-(2-methoxyethyl)-3-nitrobenzamide,
167834-35-7,
BAS 00407386,
AC1LW7WI,
ARONIS014281,
SCHEMBL7746602,
KS-00001YZF,
IXJSKLULBLVZNM-UHFFFAOYSA-N,
ZINC2055565,
STL260092,
AKOS000503221,
MCULE-6921940826,
N-(2-Methoxy-ethyl)-3-nitro-benzamide,
ST45050976,
N-(2-methoxyethyl)(3-nitrophenyl)carboxamide,
6X-5055,
SR-01000316729,
SR-01000316729-1,
CID1720497,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number