Home Halogens Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-

Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-

CAS No.:
1011711-52-6
Catalog Number:
AG0003VD
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
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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  
Properties