Home Carboxys 1H-Indole-2-carboxylic acid, 5-fluoro-, methyl ester

1H-Indole-2-carboxylic acid, 5-fluoro-, methyl ester

CAS No.:
167631-84-7
Catalog Number:
AG001XHZ
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
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Product Description
Catalog Number:
AG001XHZ
Chemical Name:
1H-Indole-2-carboxylic acid, 5-fluoro-, methyl ester
CAS Number:
167631-84-7
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD04972072
IUPAC Name:
methyl 5-fluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-5,12H,1H3
InChI Key:
QUZGGDBUGGJROM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccc(c2)F
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:
2.6  
Properties