CAS
52414-97-8 Purity
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52414-97-8 Purity
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3-Bromo-2-methylbenzonitrile
CAS
52780-15-1
Catalog Number
ACM52780151
Category
Bromine Series
Molecular Weight
196.04
Molecular Formula
C8H6BrN
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What is the molecular formula of 3-Bromo-2-methylbenzonitrile?
The molecular formula of 3-Bromo-2-methylbenzonitrile is C8H6BrN.
What is the molecular weight of 3-Bromo-2-methylbenzonitrile?
The molecular weight of 3-Bromo-2-methylbenzonitrile is 196.04 g/mol.
What is the IUPAC name of 3-Bromo-2-methylbenzonitrile?
The IUPAC name of 3-Bromo-2-methylbenzonitrile is 3-bromo-2-methylbenzonitrile.
What is the InChI of 3-Bromo-2-methylbenzonitrile?
The InChI of 3-Bromo-2-methylbenzonitrile is InChI=1S/C8H6BrN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3.
What is the InChIKey of 3-Bromo-2-methylbenzonitrile?
The InChIKey of 3-Bromo-2-methylbenzonitrile is VJMRAGHVKBZNAF-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromo-2-methylbenzonitrile?
The canonical SMILES of 3-Bromo-2-methylbenzonitrile is CC1=C(C=CC=C1Br)C#N.
What is the CAS number of 3-Bromo-2-methylbenzonitrile?
The CAS number of 3-Bromo-2-methylbenzonitrile is 52780-15-1.
What is the European Community (EC) number of 3-Bromo-2-methylbenzonitrile?
The European Community (EC) number of 3-Bromo-2-methylbenzonitrile is 841-797-2.
What is the XLogP3-AA value of 3-Bromo-2-methylbenzonitrile?
The XLogP3-AA value of 3-Bromo-2-methylbenzonitrile is 2.7.
Is 3-Bromo-2-methylbenzonitrile a canonicalized compound?
Yes, 3-Bromo-2-methylbenzonitrile is a canonicalized compound.
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