CAS
90853-14-8 Purity
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90853-14-8 Purity
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Methyl 3-bromomethyl-4-cyanobenzoate
CAS
908562-24-3
Catalog Number
ACM908562243
Category
Other Products
Molecular Weight
254.08
Molecular Formula
C10H8BrNO2
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Specification
Synonyms
Methyl 3-bromomethyl-4-cyanobenzoate, Methyl 3-(bromomethyl)-4-cyanobenzoate, 908562-24-3, 908562-25-4, 3-(bromomethyl)-4-cyanobenzoic acid methyl ester, SCHEMBL646316, CTK6I9730, MolPort-001-761-186, YFQVXOFHILWYNN-UHFFFAOYSA-N, CM-723, KM2945, OR2661, ZINC14989297, AKOS015967576, AS00746, RP06199, methyl 3-(bromomethyl)-4-cyano-benzoate, 2-Cyano-5-(methoxycarbonyl)benzyl bromide, DB-018011, KB-100299
IUPAC Name
methyl 3-(bromomethyl)-4-cyanobenzoate
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)C#N)CBr
InChI Key
YFQVXOFHILWYNN-UHFFFAOYSA-N
Exact Mass
252.97400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Methyl 3-bromomethyl-4-cyanobenzoate?
The molecular formula of Methyl 3-bromomethyl-4-cyanobenzoate is C10H8BrNO2.
When was Methyl 3-bromomethyl-4-cyanobenzoate first created on PubChem?
Methyl 3-bromomethyl-4-cyanobenzoate was first created on PubChem on May 28, 2009.
What is the molecular weight of Methyl 3-bromomethyl-4-cyanobenzoate?
The molecular weight of Methyl 3-bromomethyl-4-cyanobenzoate is 254.08 g/mol.
What is the IUPAC name of Methyl 3-bromomethyl-4-cyanobenzoate?
The IUPAC name of Methyl 3-bromomethyl-4-cyanobenzoate is methyl 3-(bromomethyl)-4-cyanobenzoate.
What is the InChIKey of Methyl 3-bromomethyl-4-cyanobenzoate?
The InChIKey of Methyl 3-bromomethyl-4-cyanobenzoate is YFQVXOFHILWYNN-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Methyl 3-bromomethyl-4-cyanobenzoate?
The Canonical SMILES representation of Methyl 3-bromomethyl-4-cyanobenzoate is COC(=O)C1=CC(=C(C=C1)C#N)CBr.
What is the CAS number of Methyl 3-bromomethyl-4-cyanobenzoate?
The CAS number of Methyl 3-bromomethyl-4-cyanobenzoate is 908562-25-4.
What is the XLogP3-AA value of Methyl 3-bromomethyl-4-cyanobenzoate?
The XLogP3-AA value of Methyl 3-bromomethyl-4-cyanobenzoate is 2.1.
How many hydrogen bond acceptor counts does Methyl 3-bromomethyl-4-cyanobenzoate have?
Methyl 3-bromomethyl-4-cyanobenzoate has 3 hydrogen bond acceptor counts.
Is the compound Is Canonicalized?
Yes, the compound Methyl 3-bromomethyl-4-cyanobenzoate is Canonicalized.
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