CAS
913836-21-2 Purity
97%
913836-21-2 Purity
97%
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3-Pyridinesulfonylchloride,5-bromo-,hydrochloride(1:1)
CAS
913836-25-6
Catalog Number
ACM913836256
Category
Other Products
Molecular Weight
292.9676
Molecular Formula
C5H3BrClNO2S.ClH
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Specification
Synonyms
OR3239; 5-bromopyridine-3-sulfonylchloride hydrochloride; 5-Bromopyridine-3-sulphonyl chloride hydrochloride; 5-bromopyridine-3-sulphonyl chloride hydrogen chloride;
IUPAC Name
5-bromopyridine-3-sulfonyl chloride;hydrochloride
Canonical SMILES
C1=C(C=NC=C1Br)S(=O)(=O)Cl.Cl
InChI Key
YDXZUVLGYGROKT-UHFFFAOYSA-N
Boiling Point
356.7ºC at 760 mmHg
Melting Point
93-95ºC
Flash Point
169.5ºC
Exact Mass
290.85200
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 3-Pyridinesulfonylchloride,5-bromo-,hydrochloride(1:1)?
The molecular formula is C5H4BrCl2NO2S.
What is the molecular weight of the compound?
The molecular weight is 292.97 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-bromopyridine-3-sulfonyl chloride;hydrochloride.
What is the InChIKey of the compound?
The InChIKey is YDXZUVLGYGROKT-UHFFFAOYSA-N.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 3 hydrogen bond acceptor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 55.4 Ų.
How many covalently-bonded unit count does the compound have?
The compound has 2 covalently-bonded unit count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was the compound created and last modified?
The compound was created on 2009-07-21 and last modified on 2023-12-30.
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