Home Aldehydes 1H-Indole-3-carboxaldehyde, 5,6-difluoro-

1H-Indole-3-carboxaldehyde, 5,6-difluoro-

CAS No.:
260267-07-0
Catalog Number:
AG002RER
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
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Product Description
Catalog Number:
AG002RER
Chemical Name:
1H-Indole-3-carboxaldehyde, 5,6-difluoro-
CAS Number:
260267-07-0
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD09954781
IUPAC Name:
5,6-difluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5F2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
InChI Key:
JVFNNILBFBSJLA-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(F)c(c2)F
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.142g/mol
Monoisotopic Mass:
181.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties