200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 98395-64-3
98395-64-3 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-nitrophenoxy)ethyl]-
CAS No: 98395-64-3 Catalog No: AG00IK2Q MDL No:MFCD07706483
Product Description
Catalog Number:
AG00IK2Q
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-nitrophenoxy)ethyl]-
CAS Number:
98395-64-3
Molecular Formula:
C16H12N2O5
Molecular Weight:
312.2769
MDL Number:
MFCD07706483
IUPAC Name:
2-[2-(2-nitrophenoxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O5/c19-15-11-5-1-2-6-12(11)16(20)17(15)9-10-23-14-8-4-3-7-13(14)18(21)22/h1-8H,9-10H2
InChI Key:
QVYXLUNMNXBJCP-UHFFFAOYSA-N
SMILES:
O=C1N(CCOc2ccccc2[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.281g/mol
Monoisotopic Mass:
312.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.