CAS
96551-81-4 Purity
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96551-81-4 Purity
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1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene
CAS
96557-36-7
Catalog Number
ACM96557367
Category
Other Products
Molecular Weight
243.1
Molecular Formula
C10H11BrO2
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Specification
Synonyms
1-BROMO-2-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE
IUPAC Name
2-[(2-bromophenyl)methyl]-1,3-dioxolane
Canonical SMILES
C1COC(O1)CC2=CC=CC=C2Br
InChI Key
YWFSTIQYCXISNY-UHFFFAOYSA-N
Boiling Point
302ºC at 760 mmHg
Flash Point
135.4ºC
Density
1.47g/cm³
Exact Mass
241.99400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular formula is C10H11BrO2.
What is the molecular weight of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The molecular weight is 243.10 g/mol.
What is the IUPAC name of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The IUPAC name is 2-[(2-bromophenyl)methyl]-1,3-dioxolane.
What is the InChI of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The InChI is InChI=1S/C10H11BrO2/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4,10H,5-7H2.
What is the InChIKey of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The InChIKey is YWFSTIQYCXISNY-UHFFFAOYSA-N.
What is the Canonical SMILES of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The Canonical SMILES is C1COC(O1)CC2=CC=CC=C2Br.
What is the XLogP3-AA value of 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
The XLogP3-AA value is 2.5.
How many hydrogen bond acceptor count are there in 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
There are 2 hydrogen bond acceptor count.
How many rotatable bond count are there in 1-Bromo-2-(1,3-dioxolan-2-ylmethyl)benzene?
There are 2 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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