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Home > Nitro Compounds > 840-56-2
840-56-2 | 2-(3-Nitrophenyl)benzoxazole
CAS No: 840-56-2 Catalog No: AG00GIZX MDL No:
Product Description
Catalog Number:
AG00GIZX
Chemical Name:
2-(3-Nitrophenyl)benzoxazole
CAS Number:
840-56-2
IUPAC Name:
2-(3-nitrophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H8N2O3/c16-15(17)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)18-13/h1-8H
InChI Key:
SNRUHHAZKSZEJS-UHFFFAOYSA-N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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