Home Halogens 5-bromo-2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

5-bromo-2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

CAS No.:
1240605-58-6
Catalog Number:
AG01ELIA
Molecular Formula:
C5HBrF3NO3
Molecular Weight:
259.9655
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Product Description
Catalog Number:
AG01ELIA
Chemical Name:
5-bromo-2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CAS Number:
1240605-58-6
Molecular Formula:
C5HBrF3NO3
Molecular Weight:
259.9655
MDL Number:
MFCD16989091
IUPAC Name:
5-bromo-2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C5HBrF3NO3/c6-2-1(3(11)12)10-4(13-2)5(7,8)9/h(H,11,12)
InChI Key:
MJSVAKMLDOHRDG-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(oc1Br)C(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.909g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.966g/mol
Monoisotopic Mass:
258.909g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties