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310886-79-4 | 1H-Indole-3-carboxylic acid, 5-fluoro-, methyl ester
CAS No: 310886-79-4 Catalog No: AG00322Z MDL No:MFCD06203952
Product Description
Catalog Number:
AG00322Z
Chemical Name:
1H-Indole-3-carboxylic acid, 5-fluoro-, methyl ester
CAS Number:
310886-79-4
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
MDL Number:
MFCD06203952
IUPAC Name:
methyl 5-fluoro-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8FNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
InChI Key:
FVCOPMDCKPXHDZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(F)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:
2.7
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