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1011711-52-6 | Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS No: 1011711-52-6 Catalog No: AG0003VD MDL No:MFCD12828645
Product Description
Catalog Number:
AG0003VD
Chemical Name:
Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS Number:
1011711-52-6
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD12828645
IUPAC Name:
1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H7ClN2O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H,11,12)
InChI Key:
UKCGIOZOYKFSGN-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1c(Cl)ccn2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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