| CAS Number | 360779-31-3 |
| Catalog Number | AG00BY5U(AGN-PC-0RBKOU) |
| Chemical Name | Methyl-2-amino-2-(4-nitrophenyl) acetate |
| IUPAC Name | methyl 2-amino-2-(4-nitrophenyl)acetate |
| InChI | InChI=1S/C9H10N2O4/c1-15-9(12)8(10)6-2-4-7(5-3-6)11(13)14/h2-5,8H,10H2,1H3 |
| InChI Key | JQQJZFRFDFGUPU-UHFFFAOYSA-N |
| MDL Number | MFCD03840868 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | O=C(OC)C(N)C1=CC=C([N+]([O-])=O)C=C1 |
| Synonyms | 360779-31-3,
Methyl 2-amino-2-(4-nitrophenyl)acetate,
Methyl-2-amino-2-(4-nitrophenyl) acetate,
Methyl-2-amino-2-(4-nitrophenyl)acetate,
CTK4H5850,
DTXSID20646540,
Methyl amino(4-nitrophenyl)acetate,
AKOS015961038,
AB16763,
Methyl2-amino-2-(4-nitrophenyl)acetate,
AC-12755,
ACM360779313,
AX8139772,
DB-069309,
FT-0755302,
Benzeneacetic acid, a-amino-4-nitro-, methyl ester,hydrochloride (1:1),
763074-68-6,
METHYL-2-AMINO-2- ACETATE,
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| Complexity | 243 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number