Home Halogens 4-Isoxazolecarboxylic acid, 3-bromo-5-methyl-

4-Isoxazolecarboxylic acid, 3-bromo-5-methyl-

CAS No.:
130742-22-2
Catalog Number:
AG000UWY
Molecular Formula:
C5H4BrNO3
Molecular Weight:
205.9942
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Product Description
Catalog Number:
AG000UWY
Chemical Name:
4-Isoxazolecarboxylic acid, 3-bromo-5-methyl-
CAS Number:
130742-22-2
Molecular Formula:
C5H4BrNO3
Molecular Weight:
205.9942
MDL Number:
MFCD11520870
IUPAC Name:
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)
InChI Key:
MWOSKCLDLLPNFA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)onc1Br
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.937g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.995g/mol
Monoisotopic Mass:
204.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties