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1234616-49-9 | 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-fluoro-2-methyl-
CAS No: 1234616-49-9 Catalog No: AG000KNE MDL No:
Product Description
Catalog Number:
AG000KNE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-fluoro-2-methyl-
CAS Number:
1234616-49-9
Molecular Formula:
C8H6ClFN2
Molecular Weight:
184.5980
IUPAC Name:
4-chloro-5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6ClFN2/c1-4-2-5-7(9)6(10)3-11-8(5)12-4/h2-3H,1H3,(H,11,12)
InChI Key:
IUUCGVQZEADVHH-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(c1Cl)cc([nH]2)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.598g/mol
Monoisotopic Mass:
184.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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