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89611-45-0 | 1H-Isoindol-1-one, 2-(4-bromophenyl)-2,3,4,5,6,7-hexahydro-3-imino-
CAS No: 89611-45-0 Catalog No: AG003WQG MDL No:
Product Description
Catalog Number:
AG003WQG
Chemical Name:
1H-Isoindol-1-one, 2-(4-bromophenyl)-2,3,4,5,6,7-hexahydro-3-imino-
CAS Number:
89611-45-0
Molecular Formula:
C14H13BrN2O
Molecular Weight:
305.1698
IUPAC Name:
2-(4-bromophenyl)-3-imino-4,5,6,7-tetrahydroisoindol-1-one
InChI:
InChI=1S/C14H13BrN2O/c15-9-5-7-10(8-6-9)17-13(16)11-3-1-2-4-12(11)14(17)18/h5-8,16H,1-4H2
InChI Key:
JUXWPHOBMBJTER-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1C(=O)C2=C(C1=N)CCCC2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.175g/mol
Monoisotopic Mass:
304.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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