CAS
2198-66-5 Purity
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2198-66-5 Purity
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4-Bromo-2-(Trifluoromethoxy)Benzyl alcohol
CAS
220996-81-6
Catalog Number
ACM220996816
Category
Bromine Series
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What is the molecular formula of the compound?
The molecular formula is C8H6BrF3O2.
What is the molecular weight of the compound?
The molecular weight is 271.03 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [4-bromo-2-(trifluoromethoxy)phenyl]methanol.
What is the InChI of the compound?
The InChI is InChI=1S/C8H6BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3,13H,4H2.
What is the InChIKey of the compound?
The InChIKey is CMVFMHREHCVREX-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC(=C(C=C1Br)OC(F)(F)F)CO.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.9.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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