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Home > Nitro Compounds > 820245-86-1
820245-86-1 | 2-Methoxy-5-(4-nitro-benzoyl)-benzenesulfonyl chloride
CAS No: 820245-86-1 Catalog No: AG01EXJL MDL No:
Product Description
Catalog Number:
AG01EXJL
Chemical Name:
2-Methoxy-5-(4-nitro-benzoyl)-benzenesulfonyl chloride
CAS Number:
820245-86-1
Molecular Formula:
C14H10ClNO6S
Molecular Weight:
355.7503
IUPAC Name:
2-methoxy-5-(4-nitrobenzoyl)benzenesulfonyl chloride
InChI:
InChI=1S/C14H10ClNO6S/c1-22-12-7-4-10(8-13(12)23(15,20)21)14(17)9-2-5-11(6-3-9)16(18)19/h2-8H,1H3
InChI Key:
XJCWVTYYLXTJDK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)Cl)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.992g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.745g/mol
Monoisotopic Mass:
354.992g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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