Home Halogens 4-bromo-5-fluoro-1H-indole-2-carboxylic acid

4-bromo-5-fluoro-1H-indole-2-carboxylic acid

CAS No.:
1864058-23-0
Catalog Number:
AG01AP32
Molecular Formula:
C9H5BrFNO2
Molecular Weight:
258.0439
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Product Description
Catalog Number:
AG01AP32
Chemical Name:
4-bromo-5-fluoro-1H-indole-2-carboxylic acid
CAS Number:
1864058-23-0
Molecular Formula:
C9H5BrFNO2
Molecular Weight:
258.0439
IUPAC Name:
4-bromo-5-fluoro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5BrFNO2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,(H,13,14)
InChI Key:
SRKVVSSMXZCXCE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ccc(c2Br)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.949g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.046g/mol
Monoisotopic Mass:
256.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties