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Home > Nitro Compounds > 1803857-00-2
1803857-00-2 | 2-ethoxy-5-nitro-1,3-benzoxazole
CAS No: 1803857-00-2 Catalog No: AG01AP33 MDL No:MFCD28804065
Product Description
Catalog Number:
AG01AP33
Chemical Name:
2-ethoxy-5-nitro-1,3-benzoxazole
CAS Number:
1803857-00-2
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD28804065
IUPAC Name:
2-ethoxy-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C9H8N2O4/c1-2-14-9-10-7-5-6(11(12)13)3-4-8(7)15-9/h3-5H,2H2,1H3
InChI Key:
ZPAALTJALBYTDM-UHFFFAOYSA-N
SMILES:
CCOc1nc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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