CAS
936940-68-0 Purity
96%
936940-68-0 Purity
96%
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1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde
CAS
936940-82-8
Catalog Number
ACM936940828
Category
Other Products
Molecular Weight
190.17
Molecular Formula
C10H7FN2O
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Specification
Synonyms
CHEMBRDG-BB 4003862;1-(3-Fluoro-phenyl)-1H-pyrazole-4-carbaldehyde
IUPAC Name
1-(3-fluorophenyl)pyrazole-4-carbaldehyde
Canonical SMILES
C1=CC(=CC(=C1)F)N2C=C(C=N2)C=O
InChI Key
FKZJADFSOBJBNG-UHFFFAOYSA-N
Boiling Point
241.3ºC at 760 mmHg
Flash Point
99.7ºC
Density
1.16g/cm³
Exact Mass
190.05400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular formula is C10H7FN2O.
What is the molecular weight of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The molecular weight is 190.17 g/mol.
What is the IUPAC name of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The IUPAC name is 1-(3-fluorophenyl)pyrazole-4-carbaldehyde.
What is the Canonical SMILES representation of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The Canonical SMILES is C1=CC(=CC(=C1)F)N2C=C(C=N2)C=O.
What is the InChIKey of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The InChIKey is FKZJADFSOBJBNG-UHFFFAOYSA-N.
What is the XLogP3-AA value of 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde?
The XLogP3-AA value is 1.5.
How many hydrogen bond donor counts does 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde have?
It has 0 hydrogen bond donor counts.
How many rotatable bond counts does 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde have?
It has 2 rotatable bond counts.
Is 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde considered a canonicalized compound?
Yes, it is considered canonicalized.
How many topological polar surface areas does 1-(3-Fluorophenyl)-1H-pyrazole-4-carboxaldehyde have?
It has a topological polar surface area of 34.9 Ų.
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