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166888-26-2 | 1H-Isoindole-1,3(2H)-dione, 2-[[5-(bromomethyl)-2-thienyl]methyl]-
CAS No: 166888-26-2 Catalog No: AG001WYX MDL No:
Product Description
Catalog Number:
AG001WYX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[5-(bromomethyl)-2-thienyl]methyl]-
CAS Number:
166888-26-2
Molecular Formula:
C14H10BrNO2S
Molecular Weight:
336.2037
IUPAC Name:
2-[[5-(bromomethyl)thiophen-2-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H10BrNO2S/c15-7-9-5-6-10(19-9)8-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-6H,7-8H2
InChI Key:
FHZITBUKQUYRFS-UHFFFAOYSA-N
SMILES:
BrCc1ccc(s1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.203g/mol
Monoisotopic Mass:
334.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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