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65001-21-0 molecular structure
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5-bromopyridine-3-sulfonyl chloride

ChemBase ID: 92407
Molecular Formular: C5H3BrClNO2S
Molecular Mass: 256.50482
Monoisotopic Mass: 254.87563902
SMILES and InChIs

SMILES:
n1cc(cc(c1)Br)S(=O)(=O)Cl
Canonical SMILES:
Brc1cncc(c1)S(=O)(=O)Cl
InChI:
InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
InChIKey:
AVILRJQPDYPXFQ-UHFFFAOYSA-N

Cite this record

CBID:92407 http://www.chembase.cn/molecule-92407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromopyridine-3-sulfonyl chloride
IUPAC Traditional name
5-bromopyridine-3-sulfonyl chloride
Synonyms
5-bromopyridine-3-sulfonyl chloride
5-Bromo-3-(chlorosulphonyl)pyridine
5-Bromopyridine-3-sulphonyl chloride 97%
CAS Number
65001-21-0
MDL Number
MFCD08235263
PubChem SID
162079105
PubChem CID
20324474

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.470629  LogD (pH = 7.4) 1.4706291 
Log P 1.4706291  Molar Refractivity 45.7181 cm3
Polarizability 18.645227 Å3 Polar Surface Area 47.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
60-63°C expand Show data source
Hydrophobicity(logP)
-0.38 expand Show data source
Storage Warning
Corrosive/Toxic/Harmful/Light Sensitive/Moisture Sensitive/Store under Argon expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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