CAS
117068-71-0 Purity
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117068-71-0 Purity
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3-Bromo-4-methoxybenzonitrile
CAS
117572-79-9
Catalog Number
ACM117572799
Category
Bromine Series
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What is the molecular formula of 3-Bromo-4-methoxybenzonitrile?
The molecular formula is C8H6BrNO.
What is the molecular weight of 3-Bromo-4-methoxybenzonitrile?
The molecular weight is 212.04 g/mol.
What is the IUPAC Name of 3-Bromo-4-methoxybenzonitrile?
The IUPAC Name is 3-bromo-4-methoxybenzonitrile.
What is the InChI of 3-Bromo-4-methoxybenzonitrile?
The InChI is InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3.
What is the InChIKey of 3-Bromo-4-methoxybenzonitrile?
The InChIKey is QHWZMDRKTYTPEE-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-Bromo-4-methoxybenzonitrile?
The Canonical SMILES is COC1=C(C=C(C=C1)C#N)Br.
What is the CAS number of 3-Bromo-4-methoxybenzonitrile?
The CAS number is 117572-79-9.
What is the XLogP3-AA value of 3-Bromo-4-methoxybenzonitrile?
The XLogP3-AA value is 2.3.
What is the hydrogen bond donor count of 3-Bromo-4-methoxybenzonitrile?
The hydrogen bond donor count is 0.
Is 3-Bromo-4-methoxybenzonitrile a canonicalized compound?
Yes, 3-Bromo-4-methoxybenzonitrile is a canonicalized compound.
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