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Home > Indoles and Oxindole > 667446-41-5
667446-41-5 | 2-(2-furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CAS No: 667446-41-5 Catalog No: AG00JH1X MDL No:MFCD01329873
Product Description
Catalog Number:
AG00JH1X
Chemical Name:
2-(2-furylmethyl)-4-nitro-1H-isoindole-1,3(2H)-dione
CAS Number:
667446-41-5
Molecular Formula:
C13H8N2O5
Molecular Weight:
272.2130
MDL Number:
MFCD01329873
IUPAC Name:
2-(furan-2-ylmethyl)-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C13H8N2O5/c16-12-9-4-1-5-10(15(18)19)11(9)13(17)14(12)7-8-3-2-6-20-8/h1-6H,7H2
InChI Key:
INAULTGLYURLBW-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)N1Cc1ccco1)[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.216g/mol
Monoisotopic Mass:
272.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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