Home Other Building Blocks 3,4-Difluorohydrocinnamic acid

3,4-Difluorohydrocinnamic acid

CAS No.:
161712-75-0
Catalog Number:
AG001VU1
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$388
- +
100g
98%
In Stock USA
United States
$1175
- +
Product Description
Catalog Number:
AG001VU1
Chemical Name:
3,4-Difluorohydrocinnamic acid
CAS Number:
161712-75-0
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD00009122
IUPAC Name:
3-(3,4-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
UOZIYCHJMUNLIG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties