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19788-37-5 | Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CAS No: 19788-37-5 Catalog No: AG002B4U MDL No:MFCD00003154
Product Description
Catalog Number:
AG002B4U
Chemical Name:
Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CAS Number:
19788-37-5
Molecular Formula:
C6H8ClNO
Molecular Weight:
145.5868
MDL Number:
MFCD00003154
IUPAC Name:
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C6H8ClNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChI Key:
NIFAUKBQIAURIM-UHFFFAOYSA-N
SMILES:
ClCc1c(C)noc1C
EC Number:
243-312-4
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.586g/mol
Monoisotopic Mass:
145.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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