CAS
949159-96-0 Purity
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949159-96-0 Purity
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2,5-Dimethyl-N-(3-(trifluoromethyl)phenyl)aniline
CAS
949161-10-8
Catalog Number
ACM949161108
Category
Other Products
Molecular Weight
265.273570 [g/mol]
Molecular Formula
C15H14F3N
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Specification
Synonyms
2,5-dimethyl-N-(3-(trifluoromethyl)phenyl)aniline, 949161-10-8, SureCN3633066, RL05979, AK131619, KB-18047
IUPAC Name
2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]aniline
Canonical SMILES
CC1=CC(=C(C=C1)C)NC2=CC=CC(=C2)C(F)(F)F
InChI Key
SWUBPLNGYDBIAV-UHFFFAOYSA-N
Exact Mass
265.10800
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C15H14F3N.
What is the molecular weight of the compound?
The molecular weight of the compound is 265.27 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]aniline.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C15H14F3N/c1-10-6-7-11(2)14(8-10)19-13-5-3-4-12(9-13)15(16,17)18/h3-9,19H,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SWUBPLNGYDBIAV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=CC(=C(C=C1)C)NC2=CC=CC(=C2)C(F)(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 5.1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 12.2 ?2.
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