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N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)aniline

HCID 178917478
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Basic information

CAS
298217-96-6
Standard SMILES
FC(F)(F)c1cc(NCn2nnc3ccccc32)cc(C(F)(F)F)c1
InChIKey
YJQBRYWWHNVNTJ-UHFFFAOYSA-N
Molecular formula
C15H10F6N4
Average molar mass
360.26 g/mol

Names & identifiers

Preferred name
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)aniline
IUPAC
N-(benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)aniline
English name
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)aniline
Molecular formula
C15H10F6N4
Molecular weight
360.26

Names & synonyms

298217-96-6N-(1H-1,2,3-benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)anilineN-(benzotriazol-1-ylmethyl)-3,5-bis(trifluoromethyl)anilineN-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,5-bis(trifluoromethyl)anilineAKOS005105974JS-1049AA-768/33244027N-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-3,5-bis(trifluoromethyl)anilineN-(1H-1,2,3-benzotriazol-1-ylmethyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine1H-Benzotriazole-1-methanamine, N-[3,5-bis(trifluoromethyl)phenyl]-

Database identifiers

CAS
298217-96-6

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
42.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
432

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