CAS
99295-78-0 Purity
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99295-78-0 Purity
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Methyl-4-bromo-2-methylbenzoate
CAS
99548-55-7
Catalog Number
ACM99548557
Category
Bromine Series
Molecular Formula
C9H9BrO2
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Specification
Synonyms
BENZOIC ACID,4-BROMO-2-METHYL-,METHYL ESTER
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 4-bromo-2-methylbenzoate.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H9BrO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 229.07 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H9BrO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is CYEXEOXALMJXDI-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=C(C=CC(=C1)Br)C(=O)OC.
What is the CAS number of the compound?
The CAS number of the compound is 99548-55-7.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 3.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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