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Anthranilic acid, N-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylyl)-

HCID 3025354
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Basic information

CAS
102583-96-0
Standard SMILES
O=C(O)c1ccccc1Nc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIKey
QDYFUXCKCBIGFN-UHFFFAOYSA-N
Molecular formula
C15H9F6NO2
Average molar mass
349.23 g/mol
Monoisotopic mass
349.0537475

Names & identifiers

Preferred name
Anthranilic acid, N-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylyl)-
IUPAC
2-[2,5-bis(trifluoromethyl)anilino]benzoic acid
English name
2-[[2,5-bis(trifluoromethyl)phenyl]amino]benzoic acid
Molecular formula
C15H9F6NO2
Molecular weight
0

Names & synonyms

102583-96-0BRN 2781991Anthranilic acid, N-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-xylyl)-N-(2,5-Bis(trifluoromethyl)phenyl)anthranilic acidBenzoic acid, 2-((2,5-bis(trifluoromethyl)phenyl)amino)-DTXSID40145303Benzoic acid, 2-[[2,5-bis(trifluoromethyl)phenyl]amino]-RefChem:319827DTXCID70677942-[2,5-bis(trifluoromethyl)anilino]benzoic acid2-[[2,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO]BENZOIC ACIDDB-260530
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Brassicasterol Impurity 10

Database identifiers

CAS
102583-96-0
PubChem CID
3025354
DTXSID
DTXSID40145303

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
450

Physicochemical properties

EWG's Food Scores
1 · 1
Comptox DTXSID
40145303 · DTXSID40145303

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Compound notes

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