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116325-74-7 | Benzenamine, 3,3'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[6-methyl-
CAS No: 116325-74-7 Catalog No: AG000C7G MDL No:MFCD00039148
Product Description
Catalog Number:
AG000C7G
Chemical Name:
Benzenamine, 3,3'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[6-methyl-
CAS Number:
116325-74-7
Molecular Formula:
C17H16F6N2
Molecular Weight:
362.3128
MDL Number:
MFCD00039148
IUPAC Name:
5-[2-(3-amino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylaniline
InChI:
InChI=1S/C17H16F6N2/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12/h3-8H,24-25H2,1-2H3
InChI Key:
HJSYPLCSZPEDCQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)N)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.122g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.319g/mol
Monoisotopic Mass:
362.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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