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Home > Fluorides > 1167055-94-8
1167055-94-8 | 1H-Indole, 7-Methoxy-4-(trifluoroMethyl)-
CAS No: 1167055-94-8 Catalog No: AG000D2V MDL No:
Product Description
Catalog Number:
AG000D2V
Chemical Name:
1H-Indole, 7-Methoxy-4-(trifluoroMethyl)-
CAS Number:
1167055-94-8
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
7-methoxy-4-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C10H8F3NO/c1-15-8-3-2-7(10(11,12)13)6-4-5-14-9(6)8/h2-5,14H,1H3
InChI Key:
MYJIXOCKLZXUQJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1[nH]cc2)C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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