CAS
902137-22-8 Purity
96%
902137-22-8 Purity
96%
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4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one
CAS
902137-94-4
Catalog Number
ACM902137944
Category
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What is the molecular formula of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The molecular formula is C11H10BrClO2.
When was 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one created?
It was created on December 4, 2007.
What is the molecular weight of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The molecular weight is 289.55 g/mol.
What is the IUPAC name of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The IUPAC name is 4-bromo-7-chloro-9-methyl-3,4-dihydro-1-benzoxepin-5(2H)-one.
What is the Canonical SMILES representation of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The Canonical SMILES is CC1=CC(=CC2=C1OCCC(C2=O)Br)Cl.
How many hydrogen bond donor counts does 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The XLogP3-AA value is 3.6.
What is the topological polar surface area of 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one?
The topological polar surface area is 26.3 Ų.
Does 4-Bromo-7-chloro-9-methyl-3,4-dihydro-2H-benzo[b]oxepin-5-one have any defined atom stereocenter counts?
No, it has a defined atom stereocenter count of 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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