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1228666-41-8 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-
CAS No: 1228666-41-8 Catalog No: AG000JNR MDL No:MFCD16628251
Product Description
Catalog Number:
AG000JNR
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 5-fluoro-
CAS Number:
1228666-41-8
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD16628251
IUPAC Name:
5-fluoro-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H5FN2O2/c9-5-3-11-7-4(1-2-10-7)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
VMFMXSACNCIANC-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cnc2c1cc[nH]2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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