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Cas Database |
| Name |
Benzene,5-[isocyano[(4-methylphenyl)sulfonyl]methyl]-1,2,3-trimethoxy- |
EINECS | N/A |
| CAS No. | 324519-54-2 | Density | N/A |
| PSA | 70.21000 | LogP | 3.72410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H19NO5S | Boiling Point | N/A |
| Molecular Weight | 361.419 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
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Hazard Symbols |
 T
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| Synonyms |
5-{isocyano[(4-methylphenyl)sulfonyl]methyl}-1,2,3-trimethoxybenzene;Isocyano(3,4,5-trimethoxyphenyl)methyl 4-methylphenyl sulfone; |
Article Data | 6 |
Benzene,5-[isocyano[(4-methylphenyl)sulfonyl]methyl]-1,2,3-trimethoxy- Specification
The CAS register number of Benzene,5-[isocyano[(4-methylphenyl)sulfonyl]methyl]-1,2,3-trimethoxy- is 324519-54-2. It also can be called as Isocyano(3,4,5-trimethoxyphenyl)methyl 4-methylphenyl sulfone and the systematic name about this chemical is 5-{isocyano[(4-methylphenyl)sulfonyl]methyl}-1,2,3-trimethoxybenzene. The molecular formula about this chemical is C18H19NO5S and the molecular weight is 361.41.
Physical properties about Benzene,5-[isocyano[(4-methylphenyl)sulfonyl]methyl]-1,2,3-trimethoxy- are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 74.57Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)C([N+]#[C-])c2cc(OC)c(OC)c(OC)c2
(2)InChI: InChI=1/C18H19NO5S/c1-12-6-8-14(9-7-12)25(20,21)18(19-2)13-10-15(22-3)17(24-5)16(11-13)23-4/h6-11,18H,1,3-5H3
(3)InChIKey: WNPVZANXRCPJPW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H19NO5S/c1-12-6-8-14(9-7-12)25(20,21)18(19-2)13-10-15(22-3)17(24-5)16(11-13)23-4/h6-11,18H,1,3-5H3
(5)Std. InChIKey: WNPVZANXRCPJPW-UHFFFAOYSA-N
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