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140919-24-0 | 4H-1,3-Benzodioxin, 2-(2-chlorophenyl)-6-nitro-
CAS No: 140919-24-0 Catalog No: AG001FN4 MDL No:
Product Description
Catalog Number:
AG001FN4
Chemical Name:
4H-1,3-Benzodioxin, 2-(2-chlorophenyl)-6-nitro-
CAS Number:
140919-24-0
Molecular Formula:
C14H10ClNO4
Molecular Weight:
291.6865
IUPAC Name:
2-(2-chlorophenyl)-6-nitro-4H-1,3-benzodioxine
InChI:
InChI=1S/C14H10ClNO4/c15-12-4-2-1-3-11(12)14-19-8-9-7-10(16(17)18)5-6-13(9)20-14/h1-7,14H,8H2
InChI Key:
KXOLHPKRXYVUGB-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C1OCc2c(O1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.687g/mol
Monoisotopic Mass:
291.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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