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1393555-72-0 | 1H-Pyrrolo[3,4-c]pyridin-1-one, 6-chloro-2,3-dihydro-
CAS No: 1393555-72-0 Catalog No: AG001ATB MDL No:
Product Description
Catalog Number:
AG001ATB
Chemical Name:
1H-Pyrrolo[3,4-c]pyridin-1-one, 6-chloro-2,3-dihydro-
CAS Number:
1393555-72-0
Molecular Formula:
C7H5ClN2O
Molecular Weight:
168.5804
IUPAC Name:
6-chloro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
InChI:
InChI=1S/C7H5ClN2O/c8-6-1-5-4(2-9-6)3-10-7(5)11/h1-2H,3H2,(H,10,11)
InChI Key:
HLUIGGTZXHKGKJ-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(c1)C(=O)NC2
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:
0.7
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