| CAS Number | 478553-83-2 |
| Catalog Number | AG00I8PP(AGN-PC-00YU00) |
| Chemical Name | 2-Methyl-4-nitro-1,3-benzoxazole |
| IUPAC Name | 2-methyl-4-nitro-1,3-benzoxazole |
| InChI | InChI=1S/C8H6N2O3/c1-5-9-8-6(10(11)12)3-2-4-7(8)13-5/h2-4H,1H3 |
| InChI Key | XREFCVYBUYJUNP-UHFFFAOYSA-N |
| MDL Number | MFCD08064696 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.1448 |
| SMILES | O=[N+]([O-])C2(=C1(N=C(C)OC1=CC=C2)) |
| Synonyms | 2-methyl-4-nitro-1,3-benzoxazole,
478553-83-2,
2-Methyl-4-nitrobenzoxazole,
Benzoxazole, 2-methyl-4-nitro-,
SCHEMBL3173439,
KS-00001SIZ,
2-Methyl-4-nitrobenzo[d]oxazole,
XREFCVYBUYJUNP-UHFFFAOYSA-N,
ZINC8762653,
AKOS005079464,
MCULE-5694627434,
SY018723,
MFCD08064696 (95%),
11Z-0814,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.147g/mol |
| Monoisotopic Mass | 178.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number