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239087-05-9 | (2-Fluoro-4-(trifluoromethyl)phenyl)methanamine
CAS No: 239087-05-9 Catalog No: AG003B7Z MDL No:MFCD00070807
Product Description
Catalog Number:
AG003B7Z
Chemical Name:
(2-Fluoro-4-(trifluoromethyl)phenyl)methanamine
CAS Number:
239087-05-9
Molecular Formula:
C8H7F4N
Molecular Weight:
193.1415
MDL Number:
MFCD00070807
IUPAC Name:
[2-fluoro-4-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7F4N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H,4,13H2
InChI Key:
MQTBAGAVFDZXKF-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.145g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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