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88805-82-7 | 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-1H-indazol-3-yl)-
CAS No: 88805-82-7 Catalog No: AG004CK4 MDL No:
Product Description
Catalog Number:
AG004CK4
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-1H-indazol-3-yl)-
CAS Number:
88805-82-7
Molecular Formula:
C15H8ClN3O2
Molecular Weight:
297.6959
IUPAC Name:
2-(4-chloro-1H-indazol-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C15H8ClN3O2/c16-10-6-3-7-11-12(10)13(18-17-11)19-14(20)8-4-1-2-5-9(8)15(19)21/h1-7H,(H,17,18)
InChI Key:
QHZITZAZGLSGEG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)N1c1n[nH]c2c1c(Cl)ccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.698g/mol
Monoisotopic Mass:
297.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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