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828267-53-4 | 2-Pyrrolidinone, 1-[1-(2-bromo-5-fluorophenyl)ethenyl]-
CAS No: 828267-53-4 Catalog No: AG004SYD MDL No:
Product Description
Catalog Number:
AG004SYD
Chemical Name:
2-Pyrrolidinone, 1-[1-(2-bromo-5-fluorophenyl)ethenyl]-
CAS Number:
828267-53-4
Molecular Formula:
C12H11BrFNO
Molecular Weight:
284.1242
IUPAC Name:
1-[1-(2-bromo-5-fluorophenyl)ethenyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H11BrFNO/c1-8(15-6-2-3-12(15)16)10-7-9(14)4-5-11(10)13/h4-5,7H,1-3,6H2
InChI Key:
RNSKNTRKJQDZSQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=C)N1CCCC1=O)Br
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.128g/mol
Monoisotopic Mass:
283.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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