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Home > Nitro Compounds > 88172-84-3
88172-84-3 | 4-Benzoxazolol, 2-methyl-6-nitro-
CAS No: 88172-84-3 Catalog No: AG004DSY MDL No:
Product Description
Catalog Number:
AG004DSY
Chemical Name:
4-Benzoxazolol, 2-methyl-6-nitro-
CAS Number:
88172-84-3
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
IUPAC Name:
2-methyl-6-nitro-1,3-benzoxazol-4-ol
InChI:
InChI=1S/C8H6N2O4/c1-4-9-8-6(11)2-5(10(12)13)3-7(8)14-4/h2-3,11H,1H3
InChI Key:
SDYPQBKZKJWWBV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2oc(nc2c(c1)O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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