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771581-64-7 | (4-Methyl-3-(trifluoromethyl);phenyl);methanamine
CAS No: 771581-64-7 Catalog No: AG003LQJ MDL No:MFCD06212985
Product Description
Catalog Number:
AG003LQJ
Chemical Name:
(4-Methyl-3-(trifluoromethyl);phenyl);methanamine
CAS Number:
771581-64-7
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD06212985
IUPAC Name:
[4-methyl-3-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C9H10F3N/c1-6-2-3-7(5-13)4-8(6)9(10,11)12/h2-4H,5,13H2,1H3
InChI Key:
QPMGRSWJTRAJIK-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C(F)(F)F)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.181g/mol
Monoisotopic Mass:
189.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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