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202058-46-6 | 1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-4-oxocyclohexyl)-
CAS No: 202058-46-6 Catalog No: AG00280H MDL No:
Product Description
Catalog Number:
AG00280H
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-bromo-4-oxocyclohexyl)-
CAS Number:
202058-46-6
Molecular Formula:
C14H12BrNO3
Molecular Weight:
322.1540
IUPAC Name:
2-(3-bromo-4-oxocyclohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H12BrNO3/c15-11-7-8(5-6-12(11)17)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-4,8,11H,5-7H2
InChI Key:
BCCYERBPLFVKSP-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1Br)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.158g/mol
Monoisotopic Mass:
321g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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