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210834-98-3 molecular structure
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4-chloro-6-fluoro-1,3-benzothiazol-2-amine

ChemBase ID: 308560
Molecular Formular: C7H4ClFN2S
Molecular Mass: 202.6364632
Monoisotopic Mass: 201.97677504
SMILES and InChIs

SMILES:
n1c2c(sc1N)cc(cc2Cl)F
Canonical SMILES:
Fc1cc(Cl)c2c(c1)sc(n2)N
InChI:
InChI=1S/C7H4ClFN2S/c8-4-1-3(9)2-5-6(4)11-7(10)12-5/h1-2H,(H2,10,11)
InChIKey:
TYFVRZURNJXRTK-UHFFFAOYSA-N

Cite this record

CBID:308560 http://www.chembase.cn/molecule-308560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-fluoro-1,3-benzothiazol-2-amine
IUPAC Traditional name
4-chloro-6-fluoro-1,3-benzothiazol-2-amine
Synonyms
4-chloro-6-fluoro-1,3-benzothiazol-2-amine
CAS Number
210834-98-3
MDL Number
MFCD09475479

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4031717 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7082078  LogD (pH = 7.4) 2.7154493 
Log P 2.7155423  Molar Refractivity 46.3236 cm3
Polarizability 18.380468 Å3 Polar Surface Area 38.91 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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