CAS
914613-35-7 Purity
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914613-35-7 Purity
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4-Bromo-1-isopropenyloxy-2-trifluoromethyl-benzene
CAS
914635-61-3
Catalog Number
ACM914635613
Category
Other Products
Molecular Weight
281.069130 [g/mol]
Molecular Formula
C10H8BrF3O
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Specification
Synonyms
4-BROMO-1-ISOPROPENYLOXY-2-TRIFLUOROMETHYL-BENZENE, 914635-61-3, CTK5G9667, AG-H-75433
IUPAC Name
4-bromo-1-prop-1-en-2-yloxy-2-(trifluoromethyl)benzene
Canonical SMILES
CC(C)OC1=C(C=C(C=C1)Br)C(F)(F)F
InChI Key
YVFBDTUMPJHJKQ-UHFFFAOYSA-N
Exact Mass
281.98700
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C10H8BrF3O.
What is the computed IUPAC Name of the compound?
The computed IUPAC Name of the compound is 4-bromo-1-prop-1-en-2-yloxy-2-(trifluoromethyl)benzene.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H8BrF3O/c1-6(2)15-9-4-3-7(11)5-8(9)10(12,13)14/h3-5H,1H2,2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is YVFBDTUMPJHJKQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(=C)OC1=C(C=C(C=C1)Br)C(F)(F)F.
What is the CAS number of the compound?
The CAS number of the compound is 914635-61-3.
What is the molecular weight of the compound?
The molecular weight of the compound is 281.07 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.3.
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 4 hydrogen bond acceptor counts.
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