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Home > Nitro Compounds > 75965-76-3
75965-76-3 | Naphtho[2,1-b]furan,5-methoxy-2-nitro-
CAS No: 75965-76-3 Catalog No: AG005SPO MDL No:
Product Description
Catalog Number:
AG005SPO
Chemical Name:
Naphtho[2,1-b]furan,5-methoxy-2-nitro-
CAS Number:
75965-76-3
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
IUPAC Name:
5-methoxy-2-nitrobenzo[e][1]benzofuran
InChI:
InChI=1S/C13H9NO4/c1-17-11-7-12-10(6-13(18-12)14(15)16)8-4-2-3-5-9(8)11/h2-7H,1H3
InChI Key:
XRGBBOFMOXFUOV-UHFFFAOYSA-N
SMILES:
COc1cc2oc(cc2c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.218g/mol
Monoisotopic Mass:
243.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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