CAS
49669-14-9 Purity
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49669-14-9 Purity
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2-Bromo-4-(trifluoromethyl)benzyl alcohol
CAS
497959-33-8
Catalog Number
ACM497959338
Category
Bromine Series
Molecular Weight
255.03
Molecular Formula
C8H6BrF3O
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Specification
Synonyms
2-BROMO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL
What is the molecular formula of the compound?
The molecular formula is C8H6BrF3O.
What is the molecular weight of the compound?
The molecular weight is 255.03 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [2-bromo-4-(trifluoromethyl)phenyl]methanol.
What is the InChI of the compound?
The InChI is InChI=1S/C8H6BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2.
What is the InChIKey of the compound?
The InChIKey is NKWNLTSBVALPBR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)Br)CO.
What is the CAS number of the compound?
The CAS number is 497959-33-8.
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 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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