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828267-51-2 | 2-Pyrrolidinone, 1-[1-(2-bromophenyl)ethenyl]-
CAS No: 828267-51-2 Catalog No: AG0055U3 MDL No:
Product Description
Catalog Number:
AG0055U3
Chemical Name:
2-Pyrrolidinone, 1-[1-(2-bromophenyl)ethenyl]-
CAS Number:
828267-51-2
Molecular Formula:
C12H12BrNO
Molecular Weight:
266.1338
IUPAC Name:
1-[1-(2-bromophenyl)ethenyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H12BrNO/c1-9(14-8-4-7-12(14)15)10-5-2-3-6-11(10)13/h2-3,5-6H,1,4,7-8H2
InChI Key:
XHXKKVWNAXPNEU-UHFFFAOYSA-N
SMILES:
O=C1CCCN1C(=C)c1ccccc1Br
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.138g/mol
Monoisotopic Mass:
265.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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