Home Carboxys 1H-Indole-3-carboxylic acid, 5-fluoro-1-methyl-

1H-Indole-3-carboxylic acid, 5-fluoro-1-methyl-

CAS No.:
310886-98-7
Catalog Number:
AG00BHGC
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
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Product Description
Catalog Number:
AG00BHGC
Chemical Name:
1H-Indole-3-carboxylic acid, 5-fluoro-1-methyl-
CAS Number:
310886-98-7
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD15523396
IUPAC Name:
5-fluoro-1-methylindole-3-carboxylic acid
InChI:
InChI=1S/C10H8FNO2/c1-12-5-8(10(13)14)7-4-6(11)2-3-9(7)12/h2-5H,1H3,(H,13,14)
InChI Key:
DYVWOGCIQANCRE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(cn2C)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties