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Home > Nitro Compounds > 1261911-53-8
1261911-53-8 | 4-[Benzo(b)thiophen-2-yl]-2-nitrobenzoic acid
CAS No: 1261911-53-8 Catalog No: AG00HKVT MDL No:
Product Description
Catalog Number:
AG00HKVT
Chemical Name:
4-[Benzo(b)thiophen-2-yl]-2-nitrobenzoic acid
CAS Number:
1261911-53-8
IUPAC Name:
4-(1-benzothiophen-2-yl)-2-nitrobenzoic acid
InChI:
InChI=1S/C15H9NO4S/c17-15(18)11-6-5-10(7-12(11)16(19)20)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H,17,18)
InChI Key:
XYPPHFNTNZNFCT-UHFFFAOYSA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.3g/mol
Monoisotopic Mass:
299.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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