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1190311-66-0 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-fluoro-, methyl ester
CAS No: 1190311-66-0 Catalog No: AG000HIC MDL No:MFCD12963027
Product Description
Catalog Number:
AG000HIC
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-fluoro-, methyl ester
CAS Number:
1190311-66-0
Molecular Formula:
C9H7FN2O2
Molecular Weight:
194.1625
MDL Number:
MFCD12963027
IUPAC Name:
methyl 4-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylate
InChI:
InChI=1S/C9H7FN2O2/c1-14-9(13)5-2-12-7-4-11-3-6(10)8(5)7/h2-4,12H,1H3
InChI Key:
DEJYQJPKHRIYLB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(F)cnc2
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.165g/mol
Monoisotopic Mass:
194.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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