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15996-84-6 | Benzenemethanamine, α-methyl-4-(trifluoromethyl)-
CAS No: 15996-84-6 Catalog No: AG001RJQ MDL No:MFCD04038878
Product Description
Catalog Number:
AG001RJQ
Chemical Name:
Benzenemethanamine, α-methyl-4-(trifluoromethyl)-
CAS Number:
15996-84-6
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD04038878
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C9H10F3N/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6H,13H2,1H3
InChI Key:
GUMZDWPMXGQNBG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(F)(F)F)N
Properties
Complexity:
159
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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