CAS
68468-39-3 Purity
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68468-39-3 Purity
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Methyl 2-bromo-6-chlorobenzoate
CAS
685892-23-3
Catalog Number
ACM685892233
Category
Bromine Series
Molecular Weight
249.489040 [g/mol]
Molecular Formula
C8H6BrClO2
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Specification
Synonyms
methyl 2-bromo-6-chlorobenzoate, 685892-23-3, Methyl-2-bromo-6-chlorobenzoate, ZINC02511080, PubChem12094, AC1MC1AT, SureCN852447, ACMC-209o44, methyl2-bromo-6-chlorobenzoate, CTK6I8637, methyl-2-bromo-6-chloro benzoate, MolPort-000-157-131, ANW-35522, AKOS004115261, AG-B-26940, AM83025, AS03619, MB02960, RP28866, AK-61908
IUPAC Name
methyl 2-bromo-6-chlorobenzoate
Canonical SMILES
COC(=O)C1=C(C=CC=C1Br)Cl
InChI Key
XSNZTSBNXMQBRI-UHFFFAOYSA-N
Exact Mass
247.92400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Methyl 2-bromo-6-chlorobenzoate?
The molecular formula of Methyl 2-bromo-6-chlorobenzoate is C8H6BrClO2.
When was Methyl 2-bromo-6-chlorobenzoate created in PubChem?
Methyl 2-bromo-6-chlorobenzoate was created in PubChem on July 19, 2005.
What is the IUPAC Name of Methyl 2-bromo-6-chlorobenzoate?
The IUPAC Name of Methyl 2-bromo-6-chlorobenzoate is methyl 2-bromo-6-chlorobenzoate.
What is the InChIKey of Methyl 2-bromo-6-chlorobenzoate?
The InChIKey of Methyl 2-bromo-6-chlorobenzoate is XSNZTSBNXMQBRI-UHFFFAOYSA-N.
What is the molecular weight of Methyl 2-bromo-6-chlorobenzoate?
The molecular weight of Methyl 2-bromo-6-chlorobenzoate is 249.49 g/mol.
What is the Canonical SMILES of Methyl 2-bromo-6-chlorobenzoate?
The Canonical SMILES of Methyl 2-bromo-6-chlorobenzoate is COC(=O)C1=C(C=CC=C1Br)Cl.
What is the CAS number of Methyl 2-bromo-6-chlorobenzoate?
The CAS number of Methyl 2-bromo-6-chlorobenzoate is 685892-23-3.
How many hydrogen bond donor counts does Methyl 2-bromo-6-chlorobenzoate have?
Methyl 2-bromo-6-chlorobenzoate has 0 hydrogen bond donor count.
What is the topological polar surface area of Methyl 2-bromo-6-chlorobenzoate?
The topological polar surface area of Methyl 2-bromo-6-chlorobenzoate is 26.3Ų.
Is Methyl 2-bromo-6-chlorobenzoate a canonical compound?
Yes, Methyl 2-bromo-6-chlorobenzoate is a canonical compound according to PubChem.
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