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115812-52-7 | Benzenamine, 3,5-dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]-
CAS No: 115812-52-7 Catalog No: AG000GW0 MDL No:
Product Description
Catalog Number:
AG000GW0
Chemical Name:
Benzenamine, 3,5-dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]-
CAS Number:
115812-52-7
Molecular Formula:
C13H7Cl2F4NO
Molecular Weight:
340.1004
IUPAC Name:
3,5-dichloro-2-fluoro-4-[3-(trifluoromethyl)phenoxy]aniline
InChI:
InChI=1S/C13H7Cl2F4NO/c14-8-5-9(20)11(16)10(15)12(8)21-7-3-1-2-6(4-7)13(17,18)19/h1-5H,20H2
InChI Key:
QAYOKLIEJXFJGV-UHFFFAOYSA-N
SMILES:
Clc1cc(N)c(c(c1Oc1cccc(c1)C(F)(F)F)Cl)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.984g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.099g/mol
Monoisotopic Mass:
338.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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