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87728-80-1 | 1H-Pyrrole, 1-methyl-2-[3-methyl-2-(phenylseleno)-2-butenyl]-
CAS No: 87728-80-1 Catalog No: AG004JAB MDL No:
Product Description
Catalog Number:
AG004JAB
Chemical Name:
1H-Pyrrole, 1-methyl-2-[3-methyl-2-(phenylseleno)-2-butenyl]-
CAS Number:
87728-80-1
Molecular Formula:
C16H19NSe
Molecular Weight:
304.2888
IUPAC Name:
1-methyl-2-(3-methyl-2-phenylselanylbut-2-enyl)pyrrole
InChI:
InChI=1S/C16H19NSe/c1-13(2)16(12-14-8-7-11-17(14)3)18-15-9-5-4-6-10-15/h4-11H,12H2,1-3H3
InChI Key:
QYEMSVPGKLGEED-UHFFFAOYSA-N
SMILES:
CC(=C(Cc1cccn1C)[Se]c1ccccc1)C
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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