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757188-73-1 | Pyrrolo[2,3-b]pyrrolizin-8(1H)-one, 3-(4-chlorophenyl)-1-methyl-
CAS No: 757188-73-1 Catalog No: AG005ADB MDL No:
Product Description
Catalog Number:
AG005ADB
Chemical Name:
Pyrrolo[2,3-b]pyrrolizin-8(1H)-one, 3-(4-chlorophenyl)-1-methyl-
CAS Number:
757188-73-1
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
IUPAC Name:
3-(4-chlorophenyl)-1-methylpyrrolo[2,3-b]pyrrolizin-8-one
InChI:
InChI=1S/C16H11ClN2O/c1-18-9-12(10-4-6-11(17)7-5-10)14-15(18)16(20)13-3-2-8-19(13)14/h2-9H,1H3
InChI Key:
KIRFIZXRFTZPCV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cn(c2c1n1cccc1c2=O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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