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36601-42-0 | methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
CAS No: 36601-42-0 Catalog No: AG0078T9 MDL No:
Product Description
Catalog Number:
AG0078T9
Chemical Name:
methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
CAS Number:
36601-42-0
Molecular Formula:
C14H11NO7S
Molecular Weight:
337.3046
IUPAC Name:
methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
InChI:
InChI=1S/C14H11NO7S/c1-21-14(16)10-5-7-12(8-6-10)22-23(19,20)13-4-2-3-11(9-13)15(17)18/h2-9H,1H3
InChI Key:
LWUZHUCTXNUEGY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)OS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number:
146138
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.302g/mol
Monoisotopic Mass:
337.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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