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Home > Indoles and Oxindole > 35970-03-7
35970-03-7 | 2-[(2-nitrophenyl)methyl]isoindole-1,3-dione
CAS No: 35970-03-7 Catalog No: AG007CX7 MDL No:MFCD01446151
Product Description
Catalog Number:
AG007CX7
Chemical Name:
2-[(2-nitrophenyl)methyl]isoindole-1,3-dione
CAS Number:
35970-03-7
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD01446151
IUPAC Name:
2-[(2-nitrophenyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H10N2O4/c18-14-11-6-2-3-7-12(11)15(19)16(14)9-10-5-1-4-8-13(10)17(20)21/h1-8H,9H2
InChI Key:
WKFJHWYASVXANA-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2
NSC Number:
263842
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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