Home Halogens 2-chloro-1-(3-methyl-1,2-oxazol-4-yl)ethan-1-one

2-chloro-1-(3-methyl-1,2-oxazol-4-yl)ethan-1-one

CAS No.:
2006435-27-2
Catalog Number:
AG01ELVN
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
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Product Description
Catalog Number:
AG01ELVN
Chemical Name:
2-chloro-1-(3-methyl-1,2-oxazol-4-yl)ethan-1-one
CAS Number:
2006435-27-2
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD30742103
IUPAC Name:
2-chloro-1-(3-methyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C6H6ClNO2/c1-4-5(3-10-8-4)6(9)2-7/h3H,2H2,1H3
InChI Key:
CBOPTWSRUFTBEX-UHFFFAOYSA-N
SMILES:
Cc1nocc1C(=O)CCl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties