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115363-87-6 | 2-Pyrrolidinone, 1-[(2-bromophenyl)methyl]-5-ethoxy-
CAS No: 115363-87-6 Catalog No: AG000GN7 MDL No:
Product Description
Catalog Number:
AG000GN7
Chemical Name:
2-Pyrrolidinone, 1-[(2-bromophenyl)methyl]-5-ethoxy-
CAS Number:
115363-87-6
Molecular Formula:
C13H16BrNO2
Molecular Weight:
298.1756
IUPAC Name:
1-[(2-bromophenyl)methyl]-5-ethoxypyrrolidin-2-one
InChI:
InChI=1S/C13H16BrNO2/c1-2-17-13-8-7-12(16)15(13)9-10-5-3-4-6-11(10)14/h3-6,13H,2,7-9H2,1H3
InChI Key:
ITJQLLUHSRIULJ-UHFFFAOYSA-N
SMILES:
CCOC1CCC(=O)N1Cc1ccccc1Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.18g/mol
Monoisotopic Mass:
297.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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