Home Halogens 2-chloro-5,7-dimethyl-1,3-benzoxazole

2-chloro-5,7-dimethyl-1,3-benzoxazole

CAS No.:
1181394-66-0
Catalog Number:
AG01C1QK
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
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Product Description
Catalog Number:
AG01C1QK
Chemical Name:
2-chloro-5,7-dimethyl-1,3-benzoxazole
CAS Number:
1181394-66-0
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD11890745
IUPAC Name:
2-chloro-5,7-dimethyl-1,3-benzoxazole
InChI:
InChI=1S/C9H8ClNO/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3
InChI Key:
PALSAEILDPHFJA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)nc(o2)Cl
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties