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Home > Nitro Compounds > 1261923-43-6
1261923-43-6 | 4-(4-Methylthiophenyl)-2-nitrophenol
CAS No: 1261923-43-6 Catalog No: AG00HLR5 MDL No:
Product Description
Catalog Number:
AG00HLR5
Chemical Name:
4-(4-Methylthiophenyl)-2-nitrophenol
CAS Number:
1261923-43-6
IUPAC Name:
4-(4-methylsulfanylphenyl)-2-nitrophenol
InChI:
InChI=1S/C13H11NO3S/c1-18-11-5-2-9(3-6-11)10-4-7-13(15)12(8-10)14(16)17/h2-8,15H,1H3
InChI Key:
QPDAGSAUCVWYAG-UHFFFAOYSA-N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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