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89250-02-2 | 2-Thiophenemethanol, 5-(3-nitrophenyl)-
CAS No: 89250-02-2 Catalog No: AG0043RS MDL No:
Product Description
Catalog Number:
AG0043RS
Chemical Name:
2-Thiophenemethanol, 5-(3-nitrophenyl)-
CAS Number:
89250-02-2
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
[5-(3-nitrophenyl)thiophen-2-yl]methanol
InChI:
InChI=1S/C11H9NO3S/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-6,13H,7H2
InChI Key:
MCJVEEMVQXTYJX-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
256
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:
2.2
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