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823802-23-9 | Formamide, N-[2-[(5-chloro-2-nitrophenyl)thio]-4-ethoxyphenyl]-
CAS No: 823802-23-9 Catalog No: AG005CWQ MDL No:
Product Description
Catalog Number:
AG005CWQ
Chemical Name:
Formamide, N-[2-[(5-chloro-2-nitrophenyl)thio]-4-ethoxyphenyl]-
CAS Number:
823802-23-9
Molecular Formula:
C15H13ClN2O4S
Molecular Weight:
352.7927
IUPAC Name:
N-[2-(5-chloro-2-nitrophenyl)sulfanyl-4-ethoxyphenyl]formamide
InChI:
InChI=1S/C15H13ClN2O4S/c1-2-22-11-4-5-12(17-9-19)14(8-11)23-15-7-10(16)3-6-13(15)18(20)21/h3-9H,2H2,1H3,(H,17,19)
InChI Key:
DKTHNADWVJISHJ-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1Sc1cc(Cl)ccc1[N+](=O)[O-])OCC
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.789g/mol
Monoisotopic Mass:
352.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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