CAS
916488-42-1 Purity
96%
916488-42-1 Purity
96%
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(4-Bromo-2-fluorophenyl)acetaldehyde
CAS
916516-85-3
Catalog Number
ACM916516853
Category
Other Products
Molecular Weight
217.0320
Molecular Formula
C8H6BrFO
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Specification
Synonyms
(4-Bromo-2-fluorophenyl)acetaldehyde
IUPAC Name
2-(4-bromo-2-fluorophenyl)acetaldehyde
Canonical SMILES
C1=CC(=C(C=C1Br)F)CC=O
InChI Key
TWXNJGUUUBGKBO-UHFFFAOYSA-N
Exact Mass
215.95900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of (4-Bromo-2-fluorophenyl)acetaldehyde?
The molecular formula is C8H6BrFO.
When was (4-Bromo-2-fluorophenyl)acetaldehyde first created in the database?
It was first created on May 28, 2009.
What is the computed IUPAC name of (4-Bromo-2-fluorophenyl)acetaldehyde?
The computed IUPAC name is 2-(4-bromo-2-fluorophenyl)acetaldehyde.
Provide the InChI of (4-Bromo-2-fluorophenyl)acetaldehyde.
The InChI is InChI=1S/C8H6BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2.
What is the canonical SMILES of (4-Bromo-2-fluorophenyl)acetaldehyde?
The canonical SMILES is C1=CC(=C(C=C1Br)F)CC=O.
What is the molecular weight of (4-Bromo-2-fluorophenyl)acetaldehyde?
The molecular weight is 217.03 g/mol.
How many hydrogen bond acceptors does (4-Bromo-2-fluorophenyl)acetaldehyde have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of (4-Bromo-2-fluorophenyl)acetaldehyde?
The topological polar surface area is 17.1 Ų.
Does (4-Bromo-2-fluorophenyl)acetaldehyde have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter count.
Is (4-Bromo-2-fluorophenyl)acetaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
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