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827-20-3 | 5-Fluoro-2-(trifluoromethyl)aniline
CAS No: 827-20-3 Catalog No: AG003MQH MDL No:MFCD06660353
Product Description
Catalog Number:
AG003MQH
Chemical Name:
5-Fluoro-2-(trifluoromethyl)aniline
CAS Number:
827-20-3
Molecular Formula:
C7H5F4N
Molecular Weight:
179.1149
MDL Number:
MFCD06660353
IUPAC Name:
5-fluoro-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F4N/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3H,12H2
InChI Key:
LBSBTIMHMYAFFS-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)N)C(F)(F)F
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.118g/mol
Monoisotopic Mass:
179.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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