Home Aldehydes 4,5,6-trifluoro-1H-indole-3-carbaldehyde

4,5,6-trifluoro-1H-indole-3-carbaldehyde

CAS No.:
2089255-57-0
Catalog Number:
AG01BTM5
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
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Product Description
Catalog Number:
AG01BTM5
Chemical Name:
4,5,6-trifluoro-1H-indole-3-carbaldehyde
CAS Number:
2089255-57-0
Molecular Formula:
C9H4F3NO
Molecular Weight:
199.1294
MDL Number:
MFCD30724144
IUPAC Name:
4,5,6-trifluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H4F3NO/c10-5-1-6-7(9(12)8(5)11)4(3-14)2-13-6/h1-3,13H
InChI Key:
NSDYSRJAWFWHCF-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(F)c(c(c2)F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.132g/mol
Monoisotopic Mass:
199.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties