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113929-35-4 | 2,5-Pyrrolidinedione, 1-[2-(2-bromophenyl)-2-oxoethyl]-
CAS No: 113929-35-4 Catalog No: AG000A31 MDL No:
Product Description
Catalog Number:
AG000A31
Chemical Name:
2,5-Pyrrolidinedione, 1-[2-(2-bromophenyl)-2-oxoethyl]-
CAS Number:
113929-35-4
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
IUPAC Name:
1-[2-(2-bromophenyl)-2-oxoethyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C12H10BrNO3/c13-9-4-2-1-3-8(9)10(15)7-14-11(16)5-6-12(14)17/h1-4H,5-7H2
InChI Key:
OHYOVDDXXVZMKR-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1CC(=O)c1ccccc1Br
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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