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1535-75-7 | 2-(Trifluoromethoxy)aniline
CAS No: 1535-75-7 Catalog No: AG003F59 MDL No:MFCD00035959
Product Description
Catalog Number:
AG003F59
Chemical Name:
2-(Trifluoromethoxy)aniline
CAS Number:
1535-75-7
Molecular Formula:
C7H6F3NO
Molecular Weight:
177.1238
MDL Number:
MFCD00035959
IUPAC Name:
2-(trifluoromethoxy)aniline
InChI:
InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2
InChI Key:
ZFCOUBUSGHLCDT-UHFFFAOYSA-N
SMILES:
Nc1ccccc1OC(F)(F)F
EC Number:
216-257-9
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.126g/mol
Monoisotopic Mass:
177.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Triarylmethanes, a new class of cx50 inhibitors. | Frontiers in pharmacology 20120101 |
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