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1260381-71-2 | Ethanone, 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-
CAS No: 1260381-71-2 Catalog No: AG000QT1 MDL No:
Product Description
Catalog Number:
AG000QT1
Chemical Name:
Ethanone, 1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-
CAS Number:
1260381-71-2
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
IUPAC Name:
1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
InChI:
InChI=1S/C9H7ClN2O/c1-5(13)6-3-11-8-2-9(10)12-4-7(6)8/h2-4,11H,1H3
InChI Key:
KRCGNHFTCROBPI-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)[nH]cc2C(=O)C
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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