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923583-84-0 | 1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS No: 923583-84-0 Catalog No: AG00670I MDL No:
Product Description
Catalog Number:
AG00670I
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS Number:
923583-84-0
Molecular Formula:
C15H8BrN3O2
Molecular Weight:
342.1469
IUPAC Name:
2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione
InChI:
InChI=1S/C15H8BrN3O2/c16-12-7-18-13-11(12)5-8(6-17-13)19-14(20)9-3-1-2-4-10(9)15(19)21/h1-7H,(H,17,18)
InChI Key:
TWBXRZAWSIRCSB-UHFFFAOYSA-N
SMILES:
O=C1N(c2cnc3c(c2)c(Br)c[nH]3)C(=O)c2c1cccc2
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.98g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.152g/mol
Monoisotopic Mass:
340.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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