CAS
94530-31-1 Purity
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94530-31-1 Purity
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trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid
CAS
945313-25-7
Catalog Number
ACM945313257
Category
Other Products
Molecular Weight
250.27
Molecular Formula
C14H15FO3
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Specification
Synonyms
TRANS-4-(2-FLUOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
IUPAC Name
4-(2-fluorobenzoyl)cyclohexane-1-carboxylic acid
Canonical SMILES
C1CC(CCC1C(=O)C2=CC=CC=C2F)C(=O)O
InChI Key
IWCJCEZRMNYYKH-UHFFFAOYSA-N
Boiling Point
407.5ºC at 760 mmHg
Flash Point
200.3ºC
Density
1.251g/cm³
Exact Mass
250.10100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The molecular formula is C14H15FO3.
When was trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid created in PubChem?
It was created on November 13, 2007.
What is the IUPAC name of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The IUPAC name is 4-(2-fluorobenzoyl)cyclohexane-1-carboxylic acid.
What is the InChIKey of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The InChIKey is IWCJCEZRMNYYKH-UHFFFAOYSA-N.
What is the Canonical SMILES representation of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The Canonical SMILES is C1CC(CCC1C(=O)C2=CC=CC=C2F)C(=O)O.
What is the CAS number of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The CAS number is 945313-25-7.
What is the molecular weight of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The molecular weight is 250.26 g/mol.
How many hydrogen bond donor counts does trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid?
The topological polar surface area is 54.4 Ų.
Is trans-4-(2-Fluorobenzoyl)cyclohexane-1-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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94530-77-5 Purity
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94530-77-5 Purity
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CAS
94532-57-7 Purity
96%
94532-57-7 Purity
96%
