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Home > Nitro Compounds > 1823775-25-2
1823775-25-2 | 7-METHYL-5-NITRO-BENZOOXAZOLE
CAS No: 1823775-25-2 Catalog No: AG01BIJ2 MDL No:MFCD28249392
Product Description
Catalog Number:
AG01BIJ2
Chemical Name:
7-METHYL-5-NITRO-BENZOOXAZOLE
CAS Number:
1823775-25-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD28249392
IUPAC Name:
7-methyl-5-nitro-1,3-benzoxazole
InChI:
InChI=1S/C8H6N2O3/c1-5-2-6(10(11)12)3-7-8(5)13-4-9-7/h2-4H,1H3
InChI Key:
JMXKPJUBHMMFSX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c2c(c1)nco2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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