CAS
952182-22-8 Purity
96%
952182-22-8 Purity
96%
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Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CAS
952182-25-1
Catalog Number
ACM952182251
Category
Other Products
Molecular Weight
193.12
Molecular Formula
C7H6F3NO2
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Specification
Synonyms
2-(Methoxycarbonyl)-5-(trifluoromethyl)-1H-pyrrole
IUPAC Name
methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
Canonical SMILES
COC(=O)C1=CC=C(N1)C(F)(F)F
InChI Key
PQFWTUPLKUNQPO-UHFFFAOYSA-N
Boiling Point
244.131ºC at 760 mmHg
Flash Point
101.447ºC
Density
1.388g/cm³
Exact Mass
193.03500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
The molecular formula is C7H6F3NO2.
When was Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate first created?
It was first created on 2010-03-29.
What is the IUPAC Name of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
The IUPAC Name is methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate.
What is the InChIKey of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
The InChIKey is PQFWTUPLKUNQPO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
The topological polar surface area is 42.1 Ų.
Does Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
How many rotatable bonds does Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate have?
It has 2 rotatable bonds.
What is the molecular weight of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
The molecular weight is 193.12 g/mol.
Is the compound canonicalized of Methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate?
Yes, the compound is canonicalized.
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