Home Halogens Isoxazole, 4-(2-chloroethyl)-3,5-dimethyl- (9CI)

Isoxazole, 4-(2-chloroethyl)-3,5-dimethyl- (9CI)

CAS No.:
79379-02-5
Catalog Number:
AG00G71S
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
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Product Description
Catalog Number:
AG00G71S
Chemical Name:
Isoxazole, 4-(2-chloroethyl)-3,5-dimethyl- (9CI)
CAS Number:
79379-02-5
Molecular Formula:
C7H10ClNO
Molecular Weight:
159.6134
MDL Number:
MFCD00459757
IUPAC Name:
4-(2-chloroethyl)-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C7H10ClNO/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3
InChI Key:
GFRZNPZXWGSTJL-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)noc1C
Properties
Complexity:
110  
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  
Properties