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87728-81-2 | 1H-Pyrrole, 1-methyl-3-[3-methyl-2-(phenylseleno)-2-butenyl]-
CAS No: 87728-81-2 Catalog No: AG004GB3 MDL No:
Product Description
Catalog Number:
AG004GB3
Chemical Name:
1H-Pyrrole, 1-methyl-3-[3-methyl-2-(phenylseleno)-2-butenyl]-
CAS Number:
87728-81-2
Molecular Formula:
C16H19NSe
Molecular Weight:
304.2888
IUPAC Name:
1-methyl-3-(3-methyl-2-phenylselanylbut-2-enyl)pyrrole
InChI:
InChI=1S/C16H19NSe/c1-13(2)16(11-14-9-10-17(3)12-14)18-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3
InChI Key:
RVHXBGSAVUJOJO-UHFFFAOYSA-N
SMILES:
Cn1ccc(c1)CC(=C(C)C)[Se]c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.306g/mol
Monoisotopic Mass:
305.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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