Basic information
- CAS
22305-44-8- Standard SMILES
Cn1nnc2ccccc2c1=O- InChIKey
AULPOPGFJIOHMZ-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Methylbenzotriazin-4-one
- IUPAC
- 3-methyl-1,2,3-benzotriazin-4-one
- English name
- 3-methylbenzotriazin-4-one
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
22305-44-83-Methylbenzotriazin-4-one3-MethylbenzotriazinoneDTXSID00176850RefChem:911529DTXCID70993413-Methyl-1,2,3-benzotriazin-4(3H)-one3-Methylbenzo[d][1,2,3]triazin-4(3H)-one3-methyl-1,2,3-benzotriazin-4-one3-methyl-3,4-dihydro-1,2,3-benzotriazin-4-one1,2,3-Benzotriazin-4(3H)-one, 3-methyl-MFCD04125779
Show more names
NSC1256093-Methyl-benzotriazin-4-oneNSC 125609MLS000721485SCHEMBL904817SCHEMBL7607425CHEMBL1450837AULPOPGFJIOHMZ-UHFFFAOYSA-N
Database identifiers
- CAS
22305-44-8- PubChem CID
- 73023
- DTXSID
DTXSID00176850- ChEMBL
CHEMBL1450837- Nikkaji
- J1.606.025I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP0.84
Physicochemical properties
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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