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82102-37-2 molecular structure
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9-methyl-9H-fluorene-9-carbonyl chloride

ChemBase ID: 65373
Molecular Formular: C15H11ClO
Molecular Mass: 242.70024
Monoisotopic Mass: 242.04984265
SMILES and InChIs

SMILES:
c12c(C(c3c1cccc3)(C)C(=O)Cl)cccc2
Canonical SMILES:
ClC(=O)C1(C)c2ccccc2c2c1cccc2
InChI:
InChI=1S/C15H11ClO/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3
InChIKey:
ZQYOOHGEBHBNTP-UHFFFAOYSA-N

Cite this record

CBID:65373 http://www.chembase.cn/molecule-65373.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-methyl-9H-fluorene-9-carbonyl chloride
IUPAC Traditional name
9-methylfluorene-9-carbonyl chloride
Synonyms
9-Methylfluorene-9-carbonyl chloride
CAS Number
82102-37-2
MDL Number
MFCD18839248
PubChem SID
162031112
PubChem CID
13751568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070711 external link Add to cart Please log in.
Data Source Data ID
PubChem 13751568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.051108  LogD (pH = 7.4) 4.051108 
Log P 4.051108  Molar Refractivity 69.3523 cm3
Polarizability 28.018496 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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