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Home > Nitro Compounds > 327081-43-6
327081-43-6 | 1-(2-methoxyphenyl)-5-nitro-1H-1,3-benzodiazole-2-thiol
CAS No: 327081-43-6 Catalog No: AG019H9P MDL No:MFCD02707162
Product Description
Catalog Number:
AG019H9P
Chemical Name:
1-(2-methoxyphenyl)-5-nitro-1H-1,3-benzodiazole-2-thiol
CAS Number:
327081-43-6
Molecular Formula:
C14H11N3O3S
Molecular Weight:
301.3204
MDL Number:
MFCD02707162
IUPAC Name:
3-(2-methoxyphenyl)-6-nitro-1H-benzimidazole-2-thione
InChI:
InChI=1S/C14H11N3O3S/c1-20-13-5-3-2-4-12(13)16-11-7-6-9(17(18)19)8-10(11)15-14(16)21/h2-8H,1H3,(H,15,21)
InChI Key:
WOHMDGFVFHFWFM-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(S)nc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.32g/mol
Monoisotopic Mass:
301.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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