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220896-14-0 | 6-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CAS No: 220896-14-0 Catalog No: AG003N65 MDL No:MFCD11518940
Product Description
Catalog Number:
AG003N65
Chemical Name:
6-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
CAS Number:
220896-14-0
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
MDL Number:
MFCD11518940
IUPAC Name:
6-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C7H5ClN2O/c8-5-2-1-4-3-6(11)10-7(4)9-5/h1-2H,3H2,(H,9,10,11)
InChI Key:
UCWFVLDDBLQHPM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)NC(=O)C2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.58g/mol
Monoisotopic Mass:
168.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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