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114021-44-2 | Benzenamine, 5-chloro-2-fluoro-4-(trifluoromethoxy)-
CAS No: 114021-44-2 Catalog No: AG000AC3 MDL No:
Product Description
Catalog Number:
AG000AC3
Chemical Name:
Benzenamine, 5-chloro-2-fluoro-4-(trifluoromethoxy)-
CAS Number:
114021-44-2
Molecular Formula:
C7H4ClF4NO
Molecular Weight:
229.5594
IUPAC Name:
5-chloro-2-fluoro-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H4ClF4NO/c8-3-1-5(13)4(9)2-6(3)14-7(10,11)12/h1-2H,13H2
InChI Key:
SOGHGKGKKGKXJU-UHFFFAOYSA-N
SMILES:
Clc1cc(N)c(cc1OC(F)(F)F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.559g/mol
Monoisotopic Mass:
228.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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