200,000+ products from a single source!
sales@angenechem.com
125287-71-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(1S)-3-bromo-1-methyl-2-oxopropyl]-
CAS No: 125287-71-0 Catalog No: AG000NFE MDL No:
Product Description
Catalog Number:
AG000NFE
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1S)-3-bromo-1-methyl-2-oxopropyl]-
CAS Number:
125287-71-0
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
IUPAC Name:
2-[(2S)-4-bromo-3-oxobutan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C12H10BrNO3/c1-7(10(15)6-13)14-11(16)8-4-2-3-5-9(8)12(14)17/h2-5,7H,6H2,1H3/t7-/m0/s1
InChI Key:
AQFBADWSFABGCC-ZETCQYMHSA-N
SMILES:
BrCC(=O)[C@@H](N1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.