Home Carboxys 4,7-difluoro-1H-indole-2-carboxylic acid

4,7-difluoro-1H-indole-2-carboxylic acid

CAS No.:
247564-67-6
Catalog Number:
AG01AJ9K
Molecular Formula:
C9H5F2NO2
Molecular Weight:
197.1383
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Product Description
Catalog Number:
AG01AJ9K
Chemical Name:
4,7-difluoro-1H-indole-2-carboxylic acid
CAS Number:
247564-67-6
Molecular Formula:
C9H5F2NO2
Molecular Weight:
197.1383
MDL Number:
MFCD01863159
IUPAC Name:
4,7-difluoro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5F2NO2/c10-5-1-2-6(11)8-4(5)3-7(12-8)9(13)14/h1-3,12H,(H,13,14)
InChI Key:
OIJKDNJQZYVNGD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(F)ccc2F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.141g/mol
Monoisotopic Mass:
197.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties