| CAS Number | 13124-15-7 |
| Catalog Number | AG009WQ8(AGN-PC-0NK9V7) |
| Chemical Name | Ethyl 3-(3,4-Dichlorophenyl)carbazate |
| IUPAC Name | ethyl N-(3,4-dichloroanilino)carbamate |
| InChI | InChI=1S/C9H10Cl2N2O2/c1-2-15-9(14)13-12-6-3-4-7(10)8(11)5-6/h3-5,12H,2H2,1H3,(H,13,14) |
| InChI Key | JLVAIPOSBJQZGC-UHFFFAOYSA-N |
| MDL Number | MFCD28975114 |
| Molecular Formula | C9H10Cl2N2O2 |
| Molecular Weight | 249.0939 |
| SMILES | O=C(OCC)NNC1=CC=C(Cl)C(Cl)=C1 |
| Synonyms | Ethyl 3-(3,4-Dichlorophenyl)carbazate,
13124-15-7,
MFCD28975114,
AKOS026671332,
AK192638,
E0998,
3-(3,4-Dichlorophenyl)carbazic Acid Ethyl Ester,
1-(3,4-Dichlorophenyl)-2-(ethoxycarbonyl)hydrazine,
2-(3,4-Dichlorophenyl)hydrazine-1-carboxylic acid ethyl ester,
ethyl 2-(3,4-dichlorophenyl)hydrazinecarboxylate,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.091g/mol |
| Monoisotopic Mass | 248.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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