Home Halogens 2,5,7-trichloro-1,3-benzoxazole

2,5,7-trichloro-1,3-benzoxazole

CAS No.:
6481-01-2
Catalog Number:
AG01BFUW
Molecular Formula:
C7H2Cl3NO
Molecular Weight:
222.4559
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Product Description
Catalog Number:
AG01BFUW
Chemical Name:
2,5,7-trichloro-1,3-benzoxazole
CAS Number:
6481-01-2
Molecular Formula:
C7H2Cl3NO
Molecular Weight:
222.4559
MDL Number:
MFCD11890752
IUPAC Name:
2,5,7-trichloro-1,3-benzoxazole
InChI:
InChI=1S/C7H2Cl3NO/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H
InChI Key:
PWYDOMHIKFHJIW-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)nc(o2)Cl
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.92g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.449g/mol
Monoisotopic Mass:
220.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties