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Home > Nitro Compounds > 88172-91-2
88172-91-2 | Benzoxazole, 2,5-dimethyl-6-nitro-
CAS No: 88172-91-2 Catalog No: AG004DSX MDL No:
Product Description
Catalog Number:
AG004DSX
Chemical Name:
Benzoxazole, 2,5-dimethyl-6-nitro-
CAS Number:
88172-91-2
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
2,5-dimethyl-6-nitro-1,3-benzoxazole
InChI:
InChI=1S/C9H8N2O3/c1-5-3-7-9(14-6(2)10-7)4-8(5)11(12)13/h3-4H,1-2H3
InChI Key:
OOLAYGMZAQCZMR-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cc(c(c2)C)[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:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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