CAS
957476-23-2 Purity
96%
957476-23-2 Purity
96%
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[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid
CAS
957487-29-5
Catalog Number
ACM957487295
Category
Other Products
Molecular Weight
190.147426 [g/mol]
Molecular Formula
C7H8F2N2O2
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Specification
Synonyms
[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid, SBB009280, [3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid, 957487-29-5, 2-[3-(difluoromethyl)-5-methylpyrazolyl]acetic acid, BAS 13532593, AC1O5K3D, CTK7B6543, MolPort-000-889-256, ALBB-004424, BBL016055, STK313216, AKOS000308114, MCULE-1289917713, AJ-39593, AK124638, AB0216006, TR-058219, BB 0256684, ST45092420
IUPAC Name
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid
Canonical SMILES
CC1=CC(=NN1CC(=O)O)C(F)F
InChI Key
ZHCDOVBRCTYUSV-UHFFFAOYSA-N
Boiling Point
323.2ºC at 760 mmHg
Flash Point
149.3ºC
Density
1.44g/cm³
Exact Mass
190.05500
H-Bond Acceptor
5
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C7H8F2N2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 190.15 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 957487-29-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 55.1 ?2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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