5-(4-methoxyphenyl)-1-methyl-1H-tetrazole
Basic information
- CAS
43131-46-0- Standard SMILES
COc1ccc(-c2nnnn2C)cc1- InChIKey
JITUWBFYZBPDCZ-UHFFFAOYSA-N- Molecular formula
- C9H10N4O
- Average molar mass
- 190.2 g/mol
- Monoisotopic mass
- 190.08546096
Names & identifiers
- Preferred name
- 5-(4-methoxyphenyl)-1-methyl-1H-tetrazole
- IUPAC
- 5-(4-methoxyphenyl)-1-methyltetrazole
Names & synonyms
43131-46-05-(4-methoxyphenyl)-1-methyl-1H-tetrazoleDTXSID60357421RefChem:299988DTXCID30308480SCHEMBL5193554SCHEMBL5966946STK982911AKOS005646739
Database identifiers
- CAS
43131-46-0- PubChem CID
- 853374
- DTXSID
DTXSID60357421
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
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Compound notes
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