CAS
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4-Bromo-1-(difluoromethyl)-2-fluorobenzene
CAS
749932-17-0
Catalog Number
ACM749932170
Category
Aryl
Molecular Weight
225.01
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Specification
Hazard Statements
H314
RIDADR
UN 1993C 3 / PGIII
Symbol
GHS05
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-bromo-1-(difluoromethyl)-2-fluorobenzene.
What is the molecular formula of the compound?
The molecular formula of the compound is C7H4BrF3.
What is the molecular weight of the compound?
The molecular weight of the compound is 225.01 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H4BrF3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H.
What is the InChIKey of the compound?
The InChIKey of the compound is WRTTUKLMUOEXBS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=C(C=C1Br)F)C(F)F.
What is the CAS number of the compound?
The CAS number of the compound is 749932-17-0.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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