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o-Aniso-m-toluidide, 5-methyl-alpha',alpha',alpha'-trifluoro-alpha-1H-tetrazol-5-yl-

HCID 212271
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
24024-04-2
Standard SMILES
Cc1ccc(OCc2nn[nH]n2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIKey
SWEDNWIBEJJJKQ-UHFFFAOYSA-N
Molecular formula
C17H14F3N5O2
Average molar mass
377.32 g/mol
Monoisotopic mass
377.10995919

Names & identifiers

Preferred name
o-Aniso-m-toluidide, 5-methyl-alpha',alpha',alpha'-trifluoro-alpha-1H-tetrazol-5-yl-
IUPAC
5-methyl-2-(2H-tetrazol-5-ylmethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

Names & synonyms

BRN 1185064Benzamide, 5-methyl-2-(1H-tetrazol-5-ylmethoxy)-N-(3-(trifluoromethyl)phenyl)-24024-04-25-Methyl-2-(1H-tetrazol-5-ylmethoxy)-alpha,alpha,alpha-trifluoro-m-benzotoluidideo-Aniso-m-toluidide, 5-methyl-alpha',alpha',alpha'-trifluoro-alpha-1H-tetrazol-5-yl-RefChem:366374DTXSID509468685-Methyl-2-[(2H-tetrazol-5-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzene-1-carboximidic acid

Database identifiers

CAS
24024-04-2
PubChem CID
212271
DTXSID
DTXSID50946868

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
92.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
507

Related reactions

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Compound notes

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