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828267-55-6 | 2-Pyrrolidinone, 1-[1-(2-bromo-4-methylphenyl)ethenyl]-
CAS No: 828267-55-6 Catalog No: AG004XKZ MDL No:
Product Description
Catalog Number:
AG004XKZ
Chemical Name:
2-Pyrrolidinone, 1-[1-(2-bromo-4-methylphenyl)ethenyl]-
CAS Number:
828267-55-6
Molecular Formula:
C13H14BrNO
Molecular Weight:
280.1604
IUPAC Name:
1-[1-(2-bromo-4-methylphenyl)ethenyl]pyrrolidin-2-one
InChI:
InChI=1S/C13H14BrNO/c1-9-5-6-11(12(14)8-9)10(2)15-7-3-4-13(15)16/h5-6,8H,2-4,7H2,1H3
InChI Key:
HMSWPXIZLJVYFI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)C(=C)N1CCCC1=O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.026g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.165g/mol
Monoisotopic Mass:
279.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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