Home Halogens Isoxazole, 4-(chloromethyl)-5-methyl-

Isoxazole, 4-(chloromethyl)-5-methyl-

CAS No.:
104988-43-4
Catalog Number:
AG00HAK5
Molecular Formula:
C5H6ClNO
Molecular Weight:
131.5602
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Product Description
Catalog Number:
AG00HAK5
Chemical Name:
Isoxazole, 4-(chloromethyl)-5-methyl-
CAS Number:
104988-43-4
Molecular Formula:
C5H6ClNO
Molecular Weight:
131.5602
MDL Number:
MFCD19232563
IUPAC Name:
4-(chloromethyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C5H6ClNO/c1-4-5(2-6)3-7-8-4/h3H,2H2,1H3
InChI Key:
OAPPWKBQKZMFCB-UHFFFAOYSA-N
SMILES:
Cc1oncc1CCl
Properties
Complexity:
78.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.559g/mol
Monoisotopic Mass:
131.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties