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86399-04-4 | 2,3,6-Trichloro-4-(trifluoromethyl)aniline
CAS No: 86399-04-4 Catalog No: AG004R72 MDL No:MFCD04972973
Product Description
Catalog Number:
AG004R72
Chemical Name:
2,3,6-Trichloro-4-(trifluoromethyl)aniline
CAS Number:
86399-04-4
Molecular Formula:
C7H3Cl3F3N
Molecular Weight:
264.4596
MDL Number:
MFCD04972973
IUPAC Name:
2,3,6-trichloro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H3Cl3F3N/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)14/h1H,14H2
InChI Key:
OFOAHTJXJLENGQ-UHFFFAOYSA-N
SMILES:
Clc1cc(c(c(c1N)Cl)Cl)C(F)(F)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.928g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.453g/mol
Monoisotopic Mass:
262.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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