CAS
913642-85-0 Purity
96%
913642-85-0 Purity
96%
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4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole
CAS
91366-64-2
Catalog Number
ACM91366642
Category
Other Products
Molecular Weight
236.61
Molecular Formula
C6H2ClFN2O3S
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Specification
Synonyms
7-Fluoro-4-benzofurazansulfonyl Chloride
IUPAC Name
7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride
Canonical SMILES
C1=C(C2=NON=C2C(=C1)S(=O)(=O)Cl)F
InChI Key
ULAADSMIEGGGMT-UHFFFAOYSA-N
Boiling Point
357.7ºC at 760 mmHg
Melting Point
66-68ºC
Flash Point
170.2ºC
Density
1.77g/cm³
Appearance
Light Orange Solid
Exact Mass
235.94600
H-Bond Acceptor
6
H-Bond Donor
0
Stability
Light Sensitive
What is the molecular formula of 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?
The molecular formula is C6H2ClFN2O3S.
When was 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole created?
It was created on 2005-09-13.
What is the IUPAC name of the compound?
The IUPAC name is 7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride.
What is the molecular weight of the compound?
The molecular weight is 236.61 g/mol.
How many hydrogen bond acceptor counts are there in the compound?
There are 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 81.4 Å2.
Is 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole a canonicalized compound?
Yes, it is canonicalized.
What is the InChIKey of the compound?
The InChIKey is ULAADSMIEGGGMT-UHFFFAOYSA-N.
How many rotatable bond counts are in the compound?
There is 1 rotatable bond count.
What is the exact mass of the compound?
The exact mass is 235.9458690 g/mol.
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CAS
913698-80-3 Purity
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913698-80-3 Purity
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