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Home > Nitro Compounds > 20162-20-3
20162-20-3 | Phenol, 2-[[[4-[(4-nitrophenyl)thio]phenyl]imino]methyl]-
CAS No: 20162-20-3 Catalog No: AG002DKC MDL No:
Product Description
Catalog Number:
AG002DKC
Chemical Name:
Phenol, 2-[[[4-[(4-nitrophenyl)thio]phenyl]imino]methyl]-
CAS Number:
20162-20-3
Molecular Formula:
C19H14N2O3S
Molecular Weight:
350.3911
IUPAC Name:
2-[[4-(4-nitrophenyl)sulfanylphenyl]iminomethyl]phenol
InChI:
InChI=1S/C19H14N2O3S/c22-19-4-2-1-3-14(19)13-20-15-5-9-17(10-6-15)25-18-11-7-16(8-12-18)21(23)24/h1-13,22H
InChI Key:
HVACYCUUXHEKBF-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.392g/mol
Monoisotopic Mass:
350.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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