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Home > Nitro Compounds > 19881-18-6
19881-18-6 | Benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-
CAS No: 19881-18-6 Catalog No: AG002BQP MDL No:MFCD00060545
Product Description
Catalog Number:
AG002BQP
Chemical Name:
Benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-
CAS Number:
19881-18-6
Molecular Formula:
C13H8N2O3S
Molecular Weight:
272.2792
MDL Number:
MFCD00060545
IUPAC Name:
1-isothiocyanato-4-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C13H8N2O3S/c16-15(17)11-3-7-13(8-4-11)18-12-5-1-10(2-6-12)14-9-19/h1-8H
InChI Key:
SVMGVZLUIWGYPH-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
243-393-6
UNII:
P4IE5B6D6U
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.278g/mol
Monoisotopic Mass:
272.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Mutagenicity of sulfoscanate: a comparative study. | Mutation research 20020725 |
| Continuous feed medication with nitroscanate for the removal of Hymenolepis nana in naturally infected mice and rats. | DTW. Deutsche tierarztliche Wochenschrift 20011001 |
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