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Home > Nitro Compounds > 14541-93-6
14541-93-6 | 2(3H)-Benzoxazolethione, 6-nitro-
CAS No: 14541-93-6 Catalog No: AG001KV2 MDL No:MFCD02725449
Product Description
Catalog Number:
AG001KV2
Chemical Name:
2(3H)-Benzoxazolethione, 6-nitro-
CAS Number:
14541-93-6
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
MDL Number:
MFCD02725449
IUPAC Name:
6-nitro-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H4N2O3S/c10-9(11)4-1-2-5-6(3-4)12-7(13)8-5/h1-3H,(H,8,13)
InChI Key:
GCVNWXZRBBCASB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)oc(=S)[nH]2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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