CAS
90290-05-4 Purity
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90290-05-4 Purity
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Benzene,2-(bromomethyl)-3-chloro-1,4-difluoro-
CAS
90292-67-4
Catalog Number
ACM90292674
Category
Other Products
Molecular Weight
241.46
Molecular Formula
C7H4BrClF2
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Specification
Synonyms
JRD-1155, 2-Chloro-3,6-difluorobenzyl bromide, 90292-67-4
IUPAC Name
2-(bromomethyl)-3-chloro-1,4-difluorobenzene
Canonical SMILES
C1=CC(=C(C(=C1F)CBr)Cl)F
InChI Key
KAADKOQBKOGBAA-UHFFFAOYSA-N
Boiling Point
221.3ºC at 760mmHg
Flash Point
87.6ºC
Density
1.733g/cm³
Exact Mass
239.91500
Hazard Statements
C: Corrosive;
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39-S45
What is the molecular formula of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro according to the reference?
The molecular formula is C7H4BrClF2.
What is the molecular weight of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
The molecular weight is 241.46 g/mol.
What are the synonyms for Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
Some synonyms include 2-Chloro-3,6-difluorobenzyl bromide and 2-(bromomethyl)-3-chloro-1,4-difluorobenzene.
What is the Canonical SMILES representation of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
The Canonical SMILES is C1=CC(=C(C(=C1F)CBr)Cl)F.
What is the InChIKey of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
The InChIKey is KAADKOQBKOGBAA-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro have?
It has 2 hydrogen bond acceptor counts.
What is the exact mass of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
The exact mass is 239.91530 g/mol.
Does Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
What is the topological polar surface area of Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro?
The topological polar surface area is 0-2.
Is Benzene, 2-(bromomethyl)-3-chloro-1,4-difluoro considered as a canonicalized compound?
Yes, it is considered as a canonicalized compound.
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