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824939-84-6 | 2,5-Pyrrolidinedione, 1-(3-bromo-1-oxopropyl)-
CAS No: 824939-84-6 Catalog No: AG00507X MDL No:
Product Description
Catalog Number:
AG00507X
Chemical Name:
2,5-Pyrrolidinedione, 1-(3-bromo-1-oxopropyl)-
CAS Number:
824939-84-6
Molecular Formula:
C7H8BrNO3
Molecular Weight:
234.0473
IUPAC Name:
1-(3-bromopropanoyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C7H8BrNO3/c8-4-3-7(12)9-5(10)1-2-6(9)11/h1-4H2
InChI Key:
NGDJYWLQNAXIAN-UHFFFAOYSA-N
SMILES:
BrCCC(=O)N1C(=O)CCC1=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.049g/mol
Monoisotopic Mass:
232.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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