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35923-79-6 | PENTAFLUOROPHENYL ISOTHIOCYANATE
CAS No: 35923-79-6 Catalog No: AG003TLK MDL No:MFCD00041042
Product Description
Catalog Number:
AG003TLK
Chemical Name:
PENTAFLUOROPHENYL ISOTHIOCYANATE
CAS Number:
35923-79-6
MDL Number:
MFCD00041042
IUPAC Name:
1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
InChI:
InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChI Key:
NGNKMRBGZPDABE-UHFFFAOYSA-N
EC Number:
252-791-9
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.967g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.136g/mol
Monoisotopic Mass:
224.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Formaldehyde and tobacco smoke as alkylating agents: the formation of N-methylenvaline in pathologists and in plastic laminate workers. | The Science of the total environment 20120101 |
| Exposure of the U.S. population to acrylamide in the National Health and Nutrition Examination Survey 2003-2004. | Environmental health perspectives 20100201 |
| LC/MS/MS Analysis of N-Terminal Protein Adducts with Improved Sensitivity: A Comparison of Selected Edman Isothiocyanate Reagents. | International journal of analytical chemistry 20090101 |
| A sensitive gas chromatographic-tandem mass spectrometric method for detection of alkylating agents in water: application to acrylamide in drinking water, coffee and snuff. | The Analyst 20030801 |
| Ethylation and methylation of hemoglobin in smokers and non-smokers. | Carcinogenesis 20021101 |
| Applicability of a modified Edman procedure for measurement of protein adducts: mechanisms of formation and degradation of phenylthiohydantoins. | Chemical research in toxicology 20020401 |
| Determination of styrene and styrene-7,8-oxide in human blood by gas chromatography-mass spectrometry. | Journal of chromatography. B, Biomedical sciences and applications 20010605 |
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