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437650-06-1 molecular structure
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1-(3,4-dichlorophenyl)cyclopentane-1-carboxylic acid

ChemBase ID: 311706
Molecular Formular: C12H12Cl2O2
Molecular Mass: 259.12848
Monoisotopic Mass: 258.02143498
SMILES and InChIs

SMILES:
C1(c2cc(c(cc2)Cl)Cl)(C(=O)O)CCCC1
Canonical SMILES:
OC(=O)C1(CCCC1)c1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C12H12Cl2O2/c13-9-4-3-8(7-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16)
InChIKey:
JYVJTQGEWALLOO-UHFFFAOYSA-N

Cite this record

CBID:311706 http://www.chembase.cn/molecule-311706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3,4-dichlorophenyl)cyclopentane-1-carboxylic acid
IUPAC Traditional name
1-(3,4-dichlorophenyl)cyclopentane-1-carboxylic acid
Synonyms
1-(3,4-dichlorophenyl)cyclopentanecarboxylic acid
CAS Number
437650-06-1
MDL Number
MFCD03161249

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.563344  LogD (pH = 7.4) 1.0459046 
Log P 4.3434954  Molar Refractivity 63.4505 cm3
Polarizability 24.979578 Å3 Polar Surface Area 37.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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