Home Other Building Blocks 3-Bromo-4-fluorocinnamic acid

3-Bromo-4-fluorocinnamic acid

CAS No.:
160434-49-1
Catalog Number:
AG001RWG
Molecular Formula:
C9H6BrFO2
Molecular Weight:
245.0451
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$30
- +
25g
98%
In Stock USA
United States
$113
- +
100g
98%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG001RWG
Chemical Name:
3-Bromo-4-fluorocinnamic acid
CAS Number:
160434-49-1
Molecular Formula:
C9H6BrFO2
Molecular Weight:
245.0451
MDL Number:
MFCD00143095
IUPAC Name:
(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6BrFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key:
ZNIGVADAKXOMQH-DUXPYHPUSA-N
SMILES:
OC(=O)C=Cc1ccc(c(c1)Br)F
EC Number:
605-209-6
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
243.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.047g/mol
Monoisotopic Mass:
243.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties