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179090-36-9 | 2H-Isoindole-2-pentanoic acid, α-bromo-1,3-dihydro-1,3-dioxo-, (αR)-
CAS No: 179090-36-9 Catalog No: AG0026RV MDL No:MFCD03427676
Product Description
Catalog Number:
AG0026RV
Chemical Name:
2H-Isoindole-2-pentanoic acid, α-bromo-1,3-dihydro-1,3-dioxo-, (αR)-
CAS Number:
179090-36-9
Molecular Formula:
C13H12BrNO4
Molecular Weight:
326.1427
MDL Number:
MFCD03427676
IUPAC Name:
(2R)-2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
InChI:
InChI=1S/C13H12BrNO4/c14-10(13(18)19)6-3-7-15-11(16)8-4-1-2-5-9(8)12(15)17/h1-2,4-5,10H,3,6-7H2,(H,18,19)/t10-/m1/s1
InChI Key:
FCGBPUWRRBLODE-SNVBAGLBSA-N
SMILES:
Br[C@@H](C(=O)O)CCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
324.995g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.146g/mol
Monoisotopic Mass:
324.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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