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1018128-18-1,MFCD09859196
Catalog No.:AA0005J3
1018128-18-1 | 3-(Chloromethyl)-5-isopropylisoxazole
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$223.00   $156.00
- +
5g
95%
in stock  
$731.00   $512.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0005J3
Chemical Name:
3-(Chloromethyl)-5-isopropylisoxazole
CAS Number:
1018128-18-1
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
MDL Number:
MFCD09859196
IUPAC Name:
3-(chloromethyl)-5-propan-2-yl-1,2-oxazole
InChI:
InChI=1S/C7H10ClNO/c1-5(2)7-3-6(4-8)9-10-7/h3,5H,4H2,1-2H3
InChI Key:
UGAJDIZLJMKLBN-UHFFFAOYSA-N
SMILES:
ClCc1noc(c1)C(C)C
Properties
Computed Properties
 
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.045g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.613g/mol
Monoisotopic Mass:
159.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3-(chloromethyl)-5-isopropylisoxazole 
1018128-18-1 
SBB025954 
STK352882 
ZINC12398232 
AKOS005168458 
MCULE-8757361193 
AJ-62100 
3-(chloromethyl)-5-(methylethyl)isoxazole 
3-(chloromethyl)-5-isopropyl-1,2-oxazole 
AB0047022 
AB1007500 
3-(chloromethyl)-5-(propan-2-yl)-1,2-oxazole 
DB-058706 
TR-061446 
BB 0262816 
FT-0713127 
ST24041569 
3-(chloromethyl)-5-(1-methylethyl)Isoxazole 
3-(chloromethyl)-5-propan-2-yl-1,2-oxazole 
Y-5612 
null 
C7H10ClNO 
isoxazole, 3-(chloromethyl)-5-(1-methylethyl)- 
CTK4A0271 
DTXSID50649342 
ALBB-009845 
0475AA 
ANW-56643 
MFCD09859196 
Literature
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