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1011-37-6,MFCD01935949
Catalog No.:AA0003O4
1011-37-6 | Isoxazole, 5-(chloromethyl)-3-phenyl-
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Purity
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500mg
>95%
2 weeks  
$503.00
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1g
>95%
2 weeks  
$618.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003O4
Chemical Name:
Isoxazole, 5-(chloromethyl)-3-phenyl-
CAS Number:
1011-37-6
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD01935949
IUPAC Name:
5-(chloromethyl)-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H8ClNO/c11-7-9-6-10(12-13-9)8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
WKLODVHSLLFKMY-UHFFFAOYSA-N
SMILES:
ClCc1onc(c1)c1ccccc1
Properties
Computed Properties
 
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
5-(Chloromethyl)-3-phenylisoxazole 
1011-37-6 
CTK3J9564 
KS-00001XNM 
DTXSID90377273 
5-chloromethyl-3-phenyl-isoxazole 
WKLODVHSLLFKMY-UHFFFAOYSA-N 
ZINC169505 
0340AA 
ANW-56192 
MFCD01935949 
SBB091640 
5-(chloromethyl)-3-phenyl-1,2-oxazole 
AKOS001288386 
5M-323S 
AB10559 
MCULE-6999109935 
RP11434 
AJ-17188 
ZB009090 
DB-006917 
TC-020876 
5-(CHLOROMETHYL)-3- PHENYLISOXAZOLE 
Isoxazole, 5-(chloromethyl)-3-phenyl- 
FT-0080122 
FT-0650827 
EN300-25358 
A19522 
C-4205 
J-516325 
I14-28763 
C10H8ClNO 
ZINC00169505 
CID2764057 
Isoxazole,5-(chloromethyl)-3-phenyl- 
chloromethylphenylisoxazole 
AC1Q3U0F 
SCHEMBL101949 
AC1MC981 
5-chloromethyl-3-phenylisoxazole 
Literature
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