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Home > Nitro Compounds > 728864-69-5
728864-69-5 | 4-Methoxy-3-[3-(4-nitro-phenyl)-3-oxo-propenyl]-benzenesulfonyl chloride
CAS No: 728864-69-5 Catalog No: AG01EX6U MDL No:
Product Description
Catalog Number:
AG01EX6U
Chemical Name:
4-Methoxy-3-[3-(4-nitro-phenyl)-3-oxo-propenyl]-benzenesulfonyl chloride
CAS Number:
728864-69-5
Molecular Formula:
C16H12ClNO6S
Molecular Weight:
381.7876
IUPAC Name:
4-methoxy-3-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]benzenesulfonyl chloride
InChI:
InChI=1S/C16H12ClNO6S/c1-24-16-9-7-14(25(17,22)23)10-12(16)4-8-15(19)11-2-5-13(6-3-11)18(20)21/h2-10H,1H3
InChI Key:
OCMKIDIIPRAONH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.007g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.783g/mol
Monoisotopic Mass:
381.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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