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101558-86-5 | Pyrrolo[3,2-b]pyrrole-2,5(1H,4H)-dione, 3,6-bis(4-chlorophenyl)-
CAS No: 101558-86-5 Catalog No: AG0004SM MDL No:
Product Description
Catalog Number:
AG0004SM
Chemical Name:
Pyrrolo[3,2-b]pyrrole-2,5(1H,4H)-dione, 3,6-bis(4-chlorophenyl)-
CAS Number:
101558-86-5
Molecular Formula:
C18H10Cl2N2O2
Molecular Weight:
357.1902
IUPAC Name:
3,6-bis(4-chlorophenyl)-2-hydroxy-1H-pyrrolo[3,2-b]pyrrol-5-one
InChI:
InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)13-15-16(22-17(13)23)14(18(24)21-15)10-3-7-12(20)8-4-10/h1-8,21,24H
InChI Key:
NIFSLUKHYDMVDY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(=O)[nH]c2c1[nH]c(=O)c2c1ccc(cc1)Cl
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.012g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.19g/mol
Monoisotopic Mass:
356.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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