CAS
91884-86-5 Purity
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91884-86-5 Purity
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3-Fluoro-2-trifluoromethylbenzoic acid
CAS
918873-52-6
Catalog Number
ACM918873526
Category
Other Products
Molecular Weight
222.136353 [g/mol]
Molecular Formula
C9H6F4O2
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Specification
Synonyms
SureCN2324567, CTK3H5442, Benzoic acid, 3-fluoro-2-(trifluoromethyl)-, methyl ester, 918873-52-6
IUPAC Name
methyl 3-fluoro-2-(trifluoromethyl)benzoate
Canonical SMILES
COC(=O)C1=C(C(=CC=C1)F)C(F)(F)F
InChI Key
KKMPPGZHERDFLH-UHFFFAOYSA-N
Exact Mass
222.03000
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 3-fluoro-2-trifluoromethylbenzoic acid?
The molecular formula of 3-fluoro-2-trifluoromethylbenzoic acid is C8H4F4O2.
When was 3-fluoro-2-trifluoromethylbenzoic acid first created and when was it last modified?
3-fluoro-2-trifluoromethylbenzoic acid was first created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of 3-fluoro-2-trifluoromethylbenzoic acid?
The IUPAC name of 3-fluoro-2-trifluoromethylbenzoic acid is 3-fluoro-2-(trifluoromethyl)benzoic acid.
What is the InChIKey of 3-fluoro-2-trifluoromethylbenzoic acid?
The InChIKey of 3-fluoro-2-trifluoromethylbenzoic acid is CDGGKKODENBDJO-UHFFFAOYSA-N.
What is the molecular weight of 3-fluoro-2-trifluoromethylbenzoic acid?
The molecular weight of 3-fluoro-2-trifluoromethylbenzoic acid is 208.11 g/mol.
How many hydrogen bond donor counts does 3-fluoro-2-trifluoromethylbenzoic acid have?
3-fluoro-2-trifluoromethylbenzoic acid has 1 hydrogen bond donor count.
What is the exact mass of 3-fluoro-2-trifluoromethylbenzoic acid?
The exact mass of 3-fluoro-2-trifluoromethylbenzoic acid is 208.01474201 g/mol.
What is the topological polar surface area of 3-fluoro-2-trifluoromethylbenzoic acid?
The topological polar surface area of 3-fluoro-2-trifluoromethylbenzoic acid is 37.3?2.
How many defined bond stereocenters does 3-fluoro-2-trifluoromethylbenzoic acid have?
3-fluoro-2-trifluoromethylbenzoic acid has 0 defined bond stereocenters.
Is the compound canonicalized for 3-fluoro-2-trifluoromethylbenzoic acid?
Yes, the compound is canonicalized for 3-fluoro-2-trifluoromethylbenzoic acid.
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