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Structure

Carbamic acid,(5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)

CAS
908267-49-2
Catalog Number
ACM908267492
Category
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What is the molecular formula of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The molecular formula is C8H9Cl3N2O2S.

What is the molecular weight of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The molecular weight is 303.6 g/mol.

What is the IUPAC name of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The IUPAC name is 2,2,2-trichloroethyl N-(5-ethyl-1,3-thiazol-2-yl)carbamate.

What is the InChI of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The InChI is InChI=1S/C8H9Cl3N2O2S/c1-2-5-3-12-6(16-5)13-7(14)15-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,13,14).

What is the InChIKey of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The InChIKey is ZDBWNFISCKKUQA-UHFFFAOYSA-N.

What is the canonical SMILES representation of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The canonical SMILES is CCC1=CN=C(S1)NC(=O)OCC(Cl)(Cl)Cl.

What is the XLogP3-AA value of Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci)?

The XLogP3-AA value is 3.6.

How many hydrogen bond donor counts does Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci) have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci) have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does Carbamic acid, (5-ethyl-2-thiazolyl)-,2,2,2-trichloroethyl ester(9ci) have?

It has 4 rotatable bond counts.

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