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Home > Nitro Compounds > 1435059-44-1
1435059-44-1 | 5-methoxy-3-methyl-4-nitro-1,2-benzoxazole
CAS No: 1435059-44-1 Catalog No: AG00ITNO MDL No:MFCD28962699
Product Description
Catalog Number:
AG00ITNO
Chemical Name:
5-methoxy-3-methyl-4-nitro-1,2-benzoxazole
CAS Number:
1435059-44-1
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD28962699
IUPAC Name:
5-methoxy-3-methyl-4-nitro-1,2-benzoxazole
InChI:
InChI=1S/C9H8N2O4/c1-5-8-6(15-10-5)3-4-7(14-2)9(8)11(12)13/h3-4H,1-2H3
InChI Key:
LEZMSQWXQRQOKW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])c(C)no2
Properties
Complexity:
255
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:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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