| CAS Number | 41994-97-2 |
| Catalog Number | AG00I85Z(AGN-PC-0WQWUO) |
| Chemical Name | 7-Methoxy-3H-1,2,3-benzotriazin-4-one |
| IUPAC Name | 7-methoxy-3H-1,2,3-benzotriazin-4-one |
| InChI | InChI=1S/C8H7N3O2/c1-13-5-2-3-6-7(4-5)9-11-10-8(6)12/h2-4H,1H3,(H,9,10,12) |
| InChI Key | SBLDECLVHMZAPY-UHFFFAOYSA-N |
| MDL Number | MFCD30474679 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | COc1ccc2c(c1)nn[nH]c2=O |
| Synonyms | 7-Methoxy-3H-1,2,3-benzotriazin-4-one,
41994-97-2,
SCHEMBL874942,
SBLDECLVHMZAPY-UHFFFAOYSA-N,
7-methoxy-1,2,3-benzotriazin-4(3H)-one,
CS-0087957,
7-Methoxybenzo[d][1,2,3]triazin-4(1H)-one,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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