3-Methoxycarbonyl-4-chlorophenylisothiocyanate (CAS 91151-68-7) — formula C9H6ClNO2S, molecular weight 227.67; category organic chemicals.
| CAS Number | 91151-68-7 |
|---|---|
| Molecular Formula | C9H6ClNO2S |
| Molecular Weight | 227.67 |
| LogP | 4.8 |
| Category | Organic Chemicals |
3-Methoxycarbonyl-4-chlorophenylisothiocyanate is a carbon-based organic compound with CAS registry number 91151-68-7 and molecular formula C9H6ClNO2S (molecular weight 227.67), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91151-68-7
Its molecular formula C9H6ClNO2S comprises 9 C, 6 H, 1 Cl, 1 N, 2 O, 1 S atoms.
Also known as: 3-Methoxycarbonyl-4-chlorophenylisothiocyanate · 3-甲氧基羰基-4-氯苯基异硫氰酸酯
Category: organic chemicals
The CAS registry number of 3-Methoxycarbonyl-4-chlorophenylisothiocyanate is 91151-68-7.
Molecular formula C9H6ClNO2S, molecular weight 227.67.
It is also registered under: 3-Methoxycarbonyl-4-chlorophenylisothiocyanate, 3-甲氧基羰基-4-氯苯基异硫氰酸酯.
Category: Organic Chemicals.
Independent reference data for 3-Methoxycarbonyl-4-chlorophenylisothiocyanate (CAS 91151-68-7), compiled from public chemistry databases.
| CAS 号 | 91151-68-7 |
|---|---|
| PubChem CID | 20252360 |
| 分子式 | C9H6ClNO2S |
| IUPAC 名称 | methyl 2-chloro-5-isothiocyanatobenzoate |
| Molecular Weight | 227.67 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.9807773 |
| Monoisotopic Mass | 226.9807773 |
| Topological Polar Surface Area | 70.8 |
| Heavy Atom Count | 14 |
91151-68-7; Methyl 2-chloro-5-isothiocyanatobenzoate; 3-Methoxycarbonyl-4-chlorophenylisothiocyanate; SCHEMBL10915365; DTXSID20604145; MFCD09800729; AKOS037653020; FS-6544; methyl 2-chloro-5-isothiocyanato-benzoate; F034843
3-甲氧基羰基-4-氯苯基异硫氰酸酯 · CAS 91151-68-7 · C9H6ClNO2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲氧基羰基-4-氯苯基异硫氰酸酯