CAS
93586-00-6 Purity
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93586-00-6 Purity
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7-Bromo-3,4-dihydro-2H-benzo[b]oxepine
CAS
93591-69-6
Catalog Number
ACM93591696
Category
Other Products
Molecular Weight
227.09774
Molecular Formula
C10H11BrO
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Specification
Synonyms
7-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPINE
What is the molecular formula of the compound 7-Bromo-3,4-dihydro-2H-benzo[b]oxepine?
The molecular formula is C10H11BrO.
What is the molecular weight of the compound?
The molecular weight is 227.10 g/mol.
What is the IUPAC name of 7-Bromo-3,4-dihydro-2H-benzo[b]oxepine?
The IUPAC name is 7-bromo-2,3,4,5-tetrahydro-1-benzoxepine.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1CCOC2=C(C1)C=C(C=C2)Br.
What is the InChIKey of the compound?
The InChIKey is LIKLOHRHBYKOHW-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 1 hydrogen bond acceptor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 9.2 A^2.
Is the compound considered canonicalized?
Yes, the compound is canonicalized.
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