Home Other Building Blocks 2-CHLORO-1-(4-METHYL-1,3-OXAZOL-5-YL)ETHAN-1-ONE

2-CHLORO-1-(4-METHYL-1,3-OXAZOL-5-YL)ETHAN-1-ONE

CAS No.:
1542746-09-7
Catalog Number:
AG01DVL9
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
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Product Description
Catalog Number:
AG01DVL9
Chemical Name:
2-CHLORO-1-(4-METHYL-1,3-OXAZOL-5-YL)ETHAN-1-ONE
CAS Number:
1542746-09-7
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD24137732
IUPAC Name:
2-chloro-1-(4-methyl-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C6H6ClNO2/c1-4-6(5(9)2-7)10-3-8-4/h3H,2H2,1H3
InChI Key:
JKSWGKLXYCOCDA-UHFFFAOYSA-N
SMILES:
Cc1ncoc1C(=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:
1.4  
Properties