| CAS Number | 60310-07-8 |
| Catalog Number | AG01DTT7(AGN-PC-0KRJJS) |
| Chemical Name | Benzamide, 3-methyl-2-nitro- |
| IUPAC Name | 3-methyl-2-nitrobenzamide |
| InChI | InChI=1S/C8H8N2O3/c1-5-3-2-4-6(8(9)11)7(5)10(12)13/h2-4H,1H3,(H2,9,11) |
| InChI Key | HTVJDAQMMNMEBZ-UHFFFAOYSA-N |
| MDL Number | MFCD00631168 |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.1607 |
| SMILES | [O-][N+](=O)c1c(C)cccc1C(=O)N |
| Synonyms | 3-methyl-2-nitrobenzamide,
60310-07-8,
Benzamide, 3-methyl-2-nitro-,
3-methyl-2-nitro-benzamide,
AC1MN4DE,
SCHEMBL2636763,
HTVJDAQMMNMEBZ-UHFFFAOYSA-N,
MFCD00631168,
AKOS008977453,
MB01360,
CS-0060014,
CID3271371,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.163g/mol |
| Monoisotopic Mass | 180.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number