Home Other Building Blocks 5-(4-Bromophenyl)isoxazole-3-propionic acid

5-(4-Bromophenyl)isoxazole-3-propionic acid

CAS No.:
870703-99-4
Catalog Number:
AG003M5B
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$159
- +
5g
≥ 98% (HPLC)
1 week
United States
$567
- +
Product Description
Catalog Number:
AG003M5B
Chemical Name:
5-(4-Bromophenyl)isoxazole-3-propionic acid
CAS Number:
870703-99-4
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD08276790
IUPAC Name:
3-[5-(4-bromophenyl)-1,2-oxazol-3-yl]propanoic acid
InChI:
InChI=1S/C12H10BrNO3/c13-9-3-1-8(2-4-9)11-7-10(14-17-11)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChI Key:
HLKQZCPKIIKIKL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1noc(c1)c1ccc(cc1)Br
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties