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3770-97-6 molecular structure
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5-hydroxy-6-(λ5-diazynylidene)-5,6-dihydronaphthalene-1-sulfonyl chloride

ChemBase ID: 798156
Molecular Formular: C10H7ClN2O3S
Molecular Mass: 270.69218
Monoisotopic Mass: 269.98659077
SMILES and InChIs

SMILES:
c1cc2c(c(c1)S(=O)(=O)Cl)C=CC(=[N+]=[N-])C2O
Canonical SMILES:
OC1c2cccc(c2C=CC1=[N+]=[N-])S(=O)(=O)Cl
InChI:
InChI=1S/C10H7ClN2O3S/c11-17(15,16)9-3-1-2-7-6(9)4-5-8(13-12)10(7)14/h1-5,10,14H
InChIKey:
FALJDJGJWQSYBM-UHFFFAOYSA-N

Cite this record

CBID:798156 http://www.chembase.cn/molecule-798156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-hydroxy-6-(λ5-diazynylidene)-5,6-dihydronaphthalene-1-sulfonyl chloride
IUPAC Traditional name
5-hydroxy-6-(λ5-diazynylidene)-5H-naphthalene-1-sulfonyl chloride
Synonyms
2-diazo-1-naphthol-5-sulfonyl chloride
CAS Number
3770-97-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10500 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10500 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.003499  H Acceptors
H Donor LogD (pH = 5.5) 0.04957813 
LogD (pH = 7.4) 0.047153547  Log P 0.04960972 
Molar Refractivity 63.5073 cm3 Polarizability 24.833912 Å3
Polar Surface Area 71.44 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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