Home Halogens 5-chloro-7-methyl-2,3-dihydro-1,3-benzoxazol-2-one

5-chloro-7-methyl-2,3-dihydro-1,3-benzoxazol-2-one

CAS No.:
80525-95-7
Catalog Number:
AG01B1L5
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
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Product Description
Catalog Number:
AG01B1L5
Chemical Name:
5-chloro-7-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CAS Number:
80525-95-7
Molecular Formula:
C8H6ClNO2
Molecular Weight:
183.5917
MDL Number:
MFCD16742808
IUPAC Name:
5-chloro-7-methyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C8H6ClNO2/c1-4-2-5(9)3-6-7(4)12-8(11)10-6/h2-3H,1H3,(H,10,11)
InChI Key:
WBBSTFQOSDNXDO-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc2c1oc(=O)[nH]2
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.591g/mol
Monoisotopic Mass:
183.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties