CAS
905706-74-3 Purity
96%
905706-74-3 Purity
96%
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4-Bromo-3-(hydroxymethyl)benzonitrile
CAS
905710-66-9
Catalog Number
ACM905710669
Category
Other Products
Molecular Weight
212.043340 [g/mol]
Molecular Formula
C8H6BrNO
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Specification
Synonyms
905710-66-9, SureCN500133, 4-bromo-3-(hydroxymethyl)benzonitrile, KB-240674, 4-BROMO-3-HYDROXYMETHYL-BENZONITRILE
IUPAC Name
4-bromo-3-(hydroxymethyl)benzonitrile
Canonical SMILES
C1=CC(=C(C=C1C#N)CO)Br
InChI Key
MKEWOMLQLUYQPK-UHFFFAOYSA-N
Exact Mass
210.96300
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C8H6BrNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 212.04 g/mol.
When was the compound created?
The compound was created on October 30, 2011.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-bromo-3-(hydroxymethyl)benzonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H6BrNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,11H,5H2.
What is the InChIKey of the compound?
The InChIKey of the compound is MKEWOMLQLUYQPK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=C(C=C1C#N)CO)Br.
What is the CAS number of the compound?
The CAS number of the compound is 905710-66-9.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 1.2.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized.
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