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1397194-25-0 | Benzenamine, N-(2,2-dimethylpropyl)-4-methoxy-3-(trifluoromethyl)-
CAS No: 1397194-25-0 Catalog No: AG001BKD MDL No:
Product Description
Catalog Number:
AG001BKD
Chemical Name:
Benzenamine, N-(2,2-dimethylpropyl)-4-methoxy-3-(trifluoromethyl)-
CAS Number:
1397194-25-0
Molecular Formula:
C13H18F3NO
Molecular Weight:
261.2833
IUPAC Name:
N-(2,2-dimethylpropyl)-4-methoxy-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H18F3NO/c1-12(2,3)8-17-9-5-6-11(18-4)10(7-9)13(14,15)16/h5-7,17H,8H2,1-4H3
InChI Key:
YOMQPHDBRPVMKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)NCC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.288g/mol
Monoisotopic Mass:
261.134g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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