| CAS Number | 396652-42-9 |
| Catalog Number | AG00CLVE(AGN-PC-02WJTE) |
| Chemical Name | Methyl 4-(ethylamino)-3-nitrobenzoate |
| IUPAC Name | methyl 4-(ethylamino)-3-nitrobenzoate |
| InChI | InChI=1S/C10H12N2O4/c1-3-11-8-5-4-7(10(13)16-2)6-9(8)12(14)15/h4-6,11H,3H2,1-2H3 |
| InChI Key | PGOWZUNCBPVWPL-UHFFFAOYSA-N |
| MDL Number | MFCD09862451 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | CCNC1=C([N+]([O-])=O)C=C(C(OC)=O)C=C1 |
| Synonyms | Methyl 4-(ethylamino)-3-nitrobenzoate,
396652-42-9,
ACMC-209j6u,
4-Ethylamino-3-nitro-benzoic acid methyl ester,
SCHEMBL2248076,
CTK8B1610,
DTXSID10609169,
PGOWZUNCBPVWPL-UHFFFAOYSA-N,
ANW-29140,
MFCD09862451,
ZINC39956292,
CJ-20039,
AJ-101441,
TC-117885,
V5704,
4-ethylamino-3-nitrobenzoic acid methyl ester,
B-8695,
C10H12N2O4,
Methyl4-(ethylamino)-3-nitrobenzoate,
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| Complexity | 264 |
| 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 | 5 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number