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100914-35-0 | 2-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS No: 100914-35-0 Catalog No: AG00H9DK MDL No:MFCD00391879
Product Description
Catalog Number:
AG00H9DK
Chemical Name:
2-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
CAS Number:
100914-35-0
Molecular Formula:
C15H8N2O6
Molecular Weight:
312.2338
MDL Number:
MFCD00391879
IUPAC Name:
2-(4-nitro-1,3-dioxoisoindol-2-yl)benzoic acid
InChI:
InChI=1S/C15H8N2O6/c18-13-9-5-3-7-11(17(22)23)12(9)14(19)16(13)10-6-2-1-4-8(10)15(20)21/h1-7H,(H,20,21)
InChI Key:
LAXXNQDTKSMKOA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.038g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.237g/mol
Monoisotopic Mass:
312.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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