Home Halogens Methyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate

Methyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate

CAS No.:
1177292-31-7
Catalog Number:
AG008VMU
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG008VMU
Chemical Name:
Methyl 4-(chloromethyl)-5-methylisoxazole-3-carboxylate
CAS Number:
1177292-31-7
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD14702898
IUPAC Name:
methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C7H8ClNO3/c1-4-5(3-8)6(9-12-4)7(10)11-2/h3H2,1-2H3
InChI Key:
QEMGAHVFVGNBDY-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc(c1CCl)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties