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51310-54-4 | 2-(Trifluoromethyl)-1H-indole
CAS No: 51310-54-4 Catalog No: AG003F5E MDL No:MFCD04972104
Product Description
Catalog Number:
AG003F5E
Chemical Name:
2-(Trifluoromethyl)-1H-indole
CAS Number:
51310-54-4
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD04972104
IUPAC Name:
2-(trifluoromethyl)-1H-indole
InChI:
InChI=1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
InChI Key:
QFHVHZJGQWMBTE-UHFFFAOYSA-N
SMILES:
FC(c1cc2c([nH]1)cccc2)(F)F
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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