Home Other Building Blocks 100119-45-7
100119-45-7,MFCD09903692
Catalog No.:AA0000X4
100119-45-7 | 2H-Pyran-4-carbonyl chloride, tetrahydro-4-phenyl-
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250mg
95%
2 weeks  
$264.00
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500mg
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$339.00
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1g
95%
2 weeks  
$462.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000X4
Chemical Name:
2H-Pyran-4-carbonyl chloride, tetrahydro-4-phenyl-
CAS Number:
100119-45-7
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
MDL Number:
MFCD09903692
IUPAC Name:
4-phenyloxane-4-carbonyl chloride
InChI:
InChI=1S/C12H13ClO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
MNCVQLSKZIVCDW-UHFFFAOYSA-N
SMILES:
ClC(=O)C1(CCOCC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
100119-45-7 
4-phenyloxane-4-carbonyl chloride 
ZINC11833324 
AKOS015957660 
MCULE-7561530816 
DB-058299 
RT-009851 
FT-0756528 
K-0146 
2H-Pyran-4-carbonyl chloride, tetrahydro-4-phenyl- 
I14-55364 
F2190-0168 
4-Phenyltetrahydro-2H-pyran-4-carbonyl chloride 
4-phenyl-2H-3,4,5,6-tetrahydropyran-4-carbonyl chloride 
4-(Chlorocarbonyl)-4-phenyltetrahydro-2H-pyran, [4-(Chlorocarbonyl)tetrahydro-2H-pyran-4-yl]benzene 
2-(Chloromethyl)-1-fluoro-3-(trifluoromethyl)benzene 
1001096-10-1 
4-phenyltetrahydropyran-4-carbonyl chloride 
2H-Pyran-4-carbonylchloride, tetrahydro-4-phenyl- 
ACMC-20e8mx 
CTK0H2330 
DTXSID50640617 
MFCD09903692 
SBB096740 
Literature
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