Home Halogens 7-bromo-5-chloro-2-methyl-1,3-benzoxazole

7-bromo-5-chloro-2-methyl-1,3-benzoxazole

CAS No.:
1195693-72-1
Catalog Number:
AG01BCL8
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
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Product Description
Catalog Number:
AG01BCL8
Chemical Name:
7-bromo-5-chloro-2-methyl-1,3-benzoxazole
CAS Number:
1195693-72-1
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
MDL Number:
MFCD16468636
IUPAC Name:
7-bromo-5-chloro-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C8H5BrClNO/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3
InChI Key:
VQWPXYVMYURDNL-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c2c(c1)nc(o2)C
Properties
Complexity:
180  
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:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties