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Home > Nitro Compounds > 72701-24-7
72701-24-7 | Formamide, N-[4-ethoxy-2-[(4-methyl-2-nitrophenyl)thio]phenyl]-
CAS No: 72701-24-7 Catalog No: AG005FMZ MDL No:
Product Description
Catalog Number:
AG005FMZ
Chemical Name:
Formamide, N-[4-ethoxy-2-[(4-methyl-2-nitrophenyl)thio]phenyl]-
CAS Number:
72701-24-7
Molecular Formula:
C16H16N2O4S
Molecular Weight:
332.3742
IUPAC Name:
N-[4-ethoxy-2-(4-methyl-2-nitrophenyl)sulfanylphenyl]formamide
InChI:
InChI=1S/C16H16N2O4S/c1-3-22-12-5-6-13(17-10-19)16(9-12)23-15-7-4-11(2)8-14(15)18(20)21/h4-10H,3H2,1-2H3,(H,17,19)
InChI Key:
VOEDPHAHDZSOAO-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1Sc1ccc(cc1[N+](=O)[O-])C)OCC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.374g/mol
Monoisotopic Mass:
332.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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