Home Halogens 6-bromo-2-(chloromethyl)-1,3-benzoxazole

6-bromo-2-(chloromethyl)-1,3-benzoxazole

CAS No.:
944903-23-5
Catalog Number:
AG01B9UX
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
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Product Description
Catalog Number:
AG01B9UX
Chemical Name:
6-bromo-2-(chloromethyl)-1,3-benzoxazole
CAS Number:
944903-23-5
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
MDL Number:
MFCD10696615
IUPAC Name:
6-bromo-2-(chloromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H5BrClNO/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2
InChI Key:
RLVYPVDIOCNSDL-UHFFFAOYSA-N
SMILES:
ClCc1nc2c(o1)cc(cc2)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.488g/mol
Monoisotopic Mass:
244.924g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties