Home Halogens 6-bromobenzo[c]isoxazole

6-bromobenzo[c]isoxazole

CAS No.:
139557-44-1
Catalog Number:
AG009Y4G
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
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Product Description
Catalog Number:
AG009Y4G
Chemical Name:
6-bromobenzo[c]isoxazole
CAS Number:
139557-44-1
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD16995918
IUPAC Name:
6-bromo-2,1-benzoxazole
InChI:
InChI=1S/C7H4BrNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H
InChI Key:
XFJAECNYWJDKBG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)noc2
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.948g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.019g/mol
Monoisotopic Mass:
196.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties