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13544-09-7 | 6-trifluoromethyl-indole-3-carbaldehyde
CAS No: 13544-09-7 Catalog No: AG0039H2 MDL No:
Product Description
Catalog Number:
AG0039H2
Chemical Name:
6-trifluoromethyl-indole-3-carbaldehyde
CAS Number:
13544-09-7
Molecular Formula:
C10H6F3NO
Molecular Weight:
213.1559
IUPAC Name:
6-(trifluoromethyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H6F3NO/c11-10(12,13)7-1-2-8-6(5-15)4-14-9(8)3-7/h1-5,14H
InChI Key:
BOCHZCCEJLKHMZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1ccc(c2)C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.159g/mol
Monoisotopic Mass:
213.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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