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Home > Nitro Compounds > 841295-58-7
841295-58-7 | 2-Benzofurancarbonyl chloride, 2,3-dihydro-2,4,6,7-tetramethyl-5-nitro-
CAS No: 841295-58-7 Catalog No: AG004ZJ4 MDL No:
Product Description
Catalog Number:
AG004ZJ4
Chemical Name:
2-Benzofurancarbonyl chloride, 2,3-dihydro-2,4,6,7-tetramethyl-5-nitro-
CAS Number:
841295-58-7
Molecular Formula:
C13H14ClNO4
Molecular Weight:
283.7076
IUPAC Name:
2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-carbonyl chloride
InChI:
InChI=1S/C13H14ClNO4/c1-6-7(2)11-9(8(3)10(6)15(17)18)5-13(4,19-11)12(14)16/h5H2,1-4H3
InChI Key:
LWSTYFWPBYOKMH-UHFFFAOYSA-N
SMILES:
Cc1c2OC(Cc2c(c(c1C)[N+](=O)[O-])C)(C)C(=O)Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.708g/mol
Monoisotopic Mass:
283.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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