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129057-55-2 | 2-Pyrrolidinone, 1-[4-(5-methyl-1H-imidazol-1-yl)-2-butyn-1-yl]-, hydrobromide (1:1)
CAS No: 129057-55-2 Catalog No: AG000YTL MDL No:
Product Description
Catalog Number:
AG000YTL
Chemical Name:
2-Pyrrolidinone, 1-[4-(5-methyl-1H-imidazol-1-yl)-2-butyn-1-yl]-, hydrobromide (1:1)
CAS Number:
129057-55-2
Molecular Formula:
C12H16BrN3O
Molecular Weight:
298.1789
IUPAC Name:
1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one;hydrobromide
InChI:
InChI=1S/C12H15N3O.BrH/c1-11-9-13-10-15(11)7-3-2-6-14-8-4-5-12(14)16;/h9-10H,4-8H2,1H3;1H
InChI Key:
DDSRHBDDGVPKTL-UHFFFAOYSA-N
SMILES:
O=C1CCCN1CC#CCn1cncc1C.Br
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.184g/mol
Monoisotopic Mass:
297.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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