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Home > Nitro Compounds > 1261888-53-2
1261888-53-2 | 4-[Benzo(b)thiophen-2-yl]-2-nitrophenol
CAS No: 1261888-53-2 Catalog No: AG00HJ83 MDL No:
Product Description
Catalog Number:
AG00HJ83
Chemical Name:
4-[Benzo(b)thiophen-2-yl]-2-nitrophenol
CAS Number:
1261888-53-2
IUPAC Name:
4-(1-benzothiophen-2-yl)-2-nitrophenol
InChI:
InChI=1S/C14H9NO3S/c16-12-6-5-10(7-11(12)15(17)18)14-8-9-3-1-2-4-13(9)19-14/h1-8,16H
InChI Key:
BQTRBBJZQRIJPH-UHFFFAOYSA-N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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