| CAS Number | 28694-94-2 |
| Catalog Number | AG002W3T(AGN-PC-0A1LUH) |
| Chemical Name | Methyl 2-(4-amino-3-nitrophenyl)acetate |
| IUPAC Name | methyl 2-(4-amino-3-nitrophenyl)acetate |
| InChI | InChI=1S/C9H10N2O4/c1-15-9(12)5-6-2-3-7(10)8(4-6)11(13)14/h2-4H,5,10H2,1H3 |
| InChI Key | KMSVFPDFFCHFRV-UHFFFAOYSA-N |
| MDL Number | MFCD16620323 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | O=C(OC)CC1=CC=C(N)C([N+]([O-])=O)=C1 |
| Synonyms | Methyl 2-(4-amino-3-nitrophenyl)acetate,
28694-94-2,
Benzeneacetic acid, 4-amino-3-nitro-, methyl ester,
SCHEMBL7425083,
CTK8C4051,
DTXSID40708290,
KMSVFPDFFCHFRV-UHFFFAOYSA-N,
ANW-70998,
MFCD16620323,
ZINC85224863,
AKOS016008031,
methyl (4-amino-3-nitrophenyl)acetate,
AJ-127629,
AX8238991,
TC-159743,
FT-0687713,
Methyl2-(4-amino-3-nitrophenyl)acetate,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.189g/mol |
| Monoisotopic Mass | 210.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number