CAS
91570-01-3 Purity
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91570-01-3 Purity
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Benzonitrile,4-(1-methyl-1H-pyrazol-3-yl)-
CAS
915707-41-4
Catalog Number
ACM915707414
Category
Other Products
Molecular Weight
183.21
Molecular Formula
C11H9N3
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Specification
Synonyms
4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile
IUPAC Name
4-(1-methylpyrazol-3-yl)benzonitrile
Canonical SMILES
CN1C=CC(=N1)C2=CC=C(C=C2)C#N
InChI Key
OGJIPYGVYSEOQL-UHFFFAOYSA-N
Boiling Point
356.4ºC at 760 mmHg
Melting Point
146ºC
Flash Point
169.4ºC
Density
1.11g/cm³
Exact Mass
183.08000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The molecular formula is C11H9N3.
What is the molecular weight of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The molecular weight is 183.21 g/mol.
What is the IUPAC name of Benzonitrile,4-(1-methyl-1H-pyrazol-3-yl)?
The IUPAC name is 4-(1-methylpyrazol-3-yl)benzonitrile.
What is the InChI of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The InChI is InChI=1S/C11H9N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,1H3.
What is the InChIKey of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The InChIKey is OGJIPYGVYSEOQL-UHFFFAOYSA-N.
What is the canonical SMILES of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The canonical SMILES is CN1C=CC(=N1)C2=CC=C(C=C2)C#N.
What is the CAS number of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The CAS number is 915707-41-4.
What is the XLogP3-AA value of Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)?
The XLogP3-AA value is 1.6.
How many hydrogen bond acceptors does Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl) have?
It has 2 hydrogen bond acceptors.
Is Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl) a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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915707-44-7 Purity
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915707-44-7 Purity
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