Home Other Building Blocks 4,6-DIFLUORO-1H-INDOLE-3-CARBALDEHYDE

4,6-DIFLUORO-1H-INDOLE-3-CARBALDEHYDE

CAS No.:
1158418-22-4
Catalog Number:
AG01EM7M
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
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Product Description
Catalog Number:
AG01EM7M
Chemical Name:
4,6-DIFLUORO-1H-INDOLE-3-CARBALDEHYDE
CAS Number:
1158418-22-4
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD15176171
IUPAC Name:
4,6-difluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H5F2NO/c10-6-1-7(11)9-5(4-13)3-12-8(9)2-6/h1-4,12H
InChI Key:
HZSRELFPJCHEQO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(F)cc(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