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831203-48-6 | 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-2-(3-nitrophenyl)-3-oxo-
CAS No: 831203-48-6 Catalog No: AG004WCZ MDL No:
Product Description
Catalog Number:
AG004WCZ
Chemical Name:
1H-Isoindole-4-carboxylic acid, 2,3-dihydro-2-(3-nitrophenyl)-3-oxo-
CAS Number:
831203-48-6
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
IUPAC Name:
2-(3-nitrophenyl)-3-oxo-1H-isoindole-4-carboxylic acid
InChI:
InChI=1S/C15H10N2O5/c18-14-13-9(3-1-6-12(13)15(19)20)8-16(14)10-4-2-5-11(7-10)17(21)22/h1-7H,8H2,(H,19,20)
InChI Key:
UBGUHOLPDCVRJE-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1c(ccc2)C(=O)O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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