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Home > Nitro Compounds > 1198096-24-0
1198096-24-0 | 4-(5-Nitrothiophen-2-yl)benzyl alcohol
CAS No: 1198096-24-0 Catalog No: AG01FCK3 MDL No:
Product Description
Catalog Number:
AG01FCK3
Chemical Name:
4-(5-Nitrothiophen-2-yl)benzyl alcohol
CAS Number:
1198096-24-0
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
[4-(5-nitrothiophen-2-yl)phenyl]methanol
InChI:
InChI=1S/C11H9NO3S/c13-7-8-1-3-9(4-2-8)10-5-6-11(16-10)12(14)15/h1-6,13H,7H2
InChI Key:
YSLJOYIMNCRZJW-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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