| CAS Number | 88132-48-3 |
| Catalog Number | AG004DIN(AGN-PC-03HJ9R) |
| Chemical Name | Methyl 5-amino-2-methyl-3-nitrobenzoate |
| IUPAC Name | methyl 5-amino-2-methyl-3-nitrobenzoate |
| InChI | InChI=1S/C9H10N2O4/c1-5-7(9(12)15-2)3-6(10)4-8(5)11(13)14/h3-4H,10H2,1-2H3 |
| InChI Key | HVACSQNWWAHGGC-UHFFFAOYSA-N |
| MDL Number | MFCD11553132 |
| Molecular Formula | C9H10N2O4 |
| Molecular Weight | 210.1867 |
| SMILES | O=C(OC)C1=CC(N)=CC([N+]([O-])=O)=C1C |
| Synonyms | methyl 5-amino-2-methyl-3-nitrobenzoate,
88132-48-3,
Benzoic acid, 5-amino-2-methyl-3-nitro-, methyl ester,
SCHEMBL1335411,
CTK5F9399,
DTXSID50619888,
HVACSQNWWAHGGC-UHFFFAOYSA-N,
MFCD11553132,
ZINC62350332,
AKOS012320867,
CS-W000572,
AK140947,
AS-48589,
AJ-114121,
AX8281155,
AM20041298,
L-1186,
5-amino-2-methyl-3-nitro-benzoic acid methyl ester,
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| Complexity | 263 |
| 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 | 2 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number