Home Carboxys 1H-Indole-6-carboxylic acid, 4-fluoro-, Methyl ester

1H-Indole-6-carboxylic acid, 4-fluoro-, Methyl ester

CAS No.:
885518-27-4
Catalog Number:
AG00H021
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
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Product Description
Catalog Number:
AG00H021
Chemical Name:
1H-Indole-6-carboxylic acid, 4-fluoro-, Methyl ester
CAS Number:
885518-27-4
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD07357296
IUPAC Name:
methyl 4-fluoro-1H-indole-6-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3
InChI Key:
PKCZOOJRXJCMPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c2c(c1)[nH]cc2
Properties
Complexity:
234  
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:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties