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Home > Nitro Compounds > 861211-72-5
861211-72-5 | 5-nitro-2-propyl-1,3-benzoxazole
CAS No: 861211-72-5 Catalog No: AG00ISHG MDL No:MFCD06496176
Product Description
Catalog Number:
AG00ISHG
Chemical Name:
5-nitro-2-propyl-1,3-benzoxazole
CAS Number:
861211-72-5
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD06496176
IUPAC Name:
5-nitro-2-propyl-1,3-benzoxazole
InChI:
InChI=1S/C10H10N2O3/c1-2-3-10-11-8-6-7(12(13)14)4-5-9(8)15-10/h4-6H,2-3H2,1H3
InChI Key:
KIBRCFXHMQVFLA-UHFFFAOYSA-N
SMILES:
CCCc1nc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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