Home Carboxys 5-Bromo-benzo[d]isoxazole-3-carboxylic acid

5-Bromo-benzo[d]isoxazole-3-carboxylic acid

CAS No.:
1123169-28-7
Catalog Number:
AG0092JU
Molecular Formula:
C8H4BrNO3
Molecular Weight:
242.0263
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Product Description
Catalog Number:
AG0092JU
Chemical Name:
5-Bromo-benzo[d]isoxazole-3-carboxylic acid
CAS Number:
1123169-28-7
Molecular Formula:
C8H4BrNO3
Molecular Weight:
242.0263
MDL Number:
MFCD11858438
IUPAC Name:
5-bromo-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12)
InChI Key:
KOYBGMVZWNFEIM-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc2c1cc(Br)cc2
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.937g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.028g/mol
Monoisotopic Mass:
240.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties