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Home > Nitro Compounds > 919087-96-0
919087-96-0 | Benzoic acid, 3-nitro-5-(3-thienyl)-
CAS No: 919087-96-0 Catalog No: AG00IGXT MDL No:
Product Description
Catalog Number:
AG00IGXT
Chemical Name:
Benzoic acid, 3-nitro-5-(3-thienyl)-
CAS Number:
919087-96-0
IUPAC Name:
3-nitro-5-thiophen-3-ylbenzoic acid
InChI:
InChI=1S/C11H7NO4S/c13-11(14)9-3-8(7-1-2-17-6-7)4-10(5-9)12(15)16/h1-6H,(H,13,14)
InChI Key:
YRKNBLJPEZCXRM-UHFFFAOYSA-N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.01g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.24g/mol
Monoisotopic Mass:
249.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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