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128611-93-8 | Carbonic acid, (2-bromophenyl)methyl 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 128611-93-8 Catalog No: AG000Y8A MDL No:MFCD00082848
Product Description
Catalog Number:
AG000Y8A
Chemical Name:
Carbonic acid, (2-bromophenyl)methyl 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
128611-93-8
Molecular Formula:
C12H10BrNO5
Molecular Weight:
328.1155
MDL Number:
MFCD00082848
IUPAC Name:
(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
InChI:
InChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChI Key:
SZDNRTVADOCWKU-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)OCc1ccccc1Br
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.118g/mol
Monoisotopic Mass:
326.974g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| PET imaging studies in rhesus monkey with the cannabinoid-1 (CB1) receptor ligand [11C]CB-119. | Molecular imaging and biology : MIB : the official publication of the Academy of Molecular Imaging 20090101 |
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