CAS
945374-70-9 Purity
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945374-70-9 Purity
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1H-Pyrrole-3-carboxylic acid,5-formyl-2-methyl-4-(trifluoromethyl)-
CAS
945379-11-3
Catalog Number
ACM945379113
Category
Other Products
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What is the molecular formula of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The molecular formula is C8H6F3NO3.
What is the IUPAC name of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The IUPAC name is 5-formyl-2-methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid.
What is the InChI of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The InChI is InChI=1S/C8H6F3NO3/c1-3-5(7(14)15)6(8(9,10)11)4(2-13)12-3/h2,12H,1H3,(H,14,15).
What is the InChIKey of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The InChIKey is SMNKHSZKLLUFAY-UHFFFAOYSA-N.
What is the canonical SMILES of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The canonical SMILES is CC1=C(C(=C(N1)C=O)C(F)(F)F)C(=O)O.
What is the molecular weight of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The molecular weight is 221.13 g/mol.
What is the XLogP3-AA value of 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl)?
The XLogP3-AA value is 1.3.
How many hydrogen bond donor counts does 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl) have?
It has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl) have?
It has 6 hydrogen bond acceptor counts.
How many rotatable bond counts does 1H-Pyrrole-3-carboxylic acid, 5-formyl-2-methyl-4-(trifluoromethyl) have?
It has 2 rotatable bond counts.
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