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1048916-54-6 | 2-(4-Bromophenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CAS No: 1048916-54-6 Catalog No: AG01F5GT MDL No:
Product Description
Catalog Number:
AG01F5GT
Chemical Name:
2-(4-Bromophenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
CAS Number:
1048916-54-6
Molecular Formula:
C15H10BrNO3
Molecular Weight:
332.1488
IUPAC Name:
2-(4-bromophenyl)-3-oxo-1H-isoindole-4-carboxylic acid
InChI:
InChI=1S/C15H10BrNO3/c16-10-4-6-11(7-5-10)17-8-9-2-1-3-12(15(19)20)13(9)14(17)18/h1-7H,8H2,(H,19,20)
InChI Key:
RGKIQLTVILIMKM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1Cc2c(C1=O)c(ccc2)C(=O)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.153g/mol
Monoisotopic Mass:
330.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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