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63279-36-7 molecular structure
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4-bromonaphthalene-1-sulfonyl chloride

ChemBase ID: 798191
Molecular Formular: C10H6BrClO2S
Molecular Mass: 305.57544
Monoisotopic Mass: 303.89604011
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(ccc2S(=O)(=O)Cl)Br
Canonical SMILES:
Brc1ccc(c2c1cccc2)S(=O)(=O)Cl
InChI:
InChI=1S/C10H6BrClO2S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H
InChIKey:
MNBFYZPSEJKTFA-UHFFFAOYSA-N

Cite this record

CBID:798191 http://www.chembase.cn/molecule-798191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromonaphthalene-1-sulfonyl chloride
IUPAC Traditional name
4-bromonaphthalene-1-sulfonyl chloride
Synonyms
4-bromo-1-Naphthalenesulfonyl chloride
CAS Number
63279-36-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10589 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10589 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6777782  LogD (pH = 7.4) 3.6777782 
Log P 3.6777782  Molar Refractivity 64.3252 cm3
Polarizability 26.658882 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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