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122509-22-2 | Benzenemethanamine, 4-amino-2-(trifluoromethyl)-
CAS No: 122509-22-2 Catalog No: AG0017CS MDL No:MFCD06212668
Product Description
Catalog Number:
AG0017CS
Chemical Name:
Benzenemethanamine, 4-amino-2-(trifluoromethyl)-
CAS Number:
122509-22-2
Molecular Formula:
C8H9F3N2
Molecular Weight:
190.1657
MDL Number:
MFCD06212668
IUPAC Name:
4-(aminomethyl)-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C8H9F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4,12-13H2
InChI Key:
KVGJSASELAQLPO-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1C(F)(F)F)N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.169g/mol
Monoisotopic Mass:
190.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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