Home Other Building Blocks 2-Chloro-3,6-difluorocinnamic acid

2-Chloro-3,6-difluorocinnamic acid

CAS No.:
261762-48-5
Catalog Number:
AG002S1B
Molecular Formula:
C9H5ClF2O2
Molecular Weight:
218.5846
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$124
- +
5g
1 week
United States
$296
- +
Product Description
Catalog Number:
AG002S1B
Chemical Name:
2-Chloro-3,6-difluorocinnamic acid
CAS Number:
261762-48-5
Molecular Formula:
C9H5ClF2O2
Molecular Weight:
218.5846
MDL Number:
MFCD01631464
IUPAC Name:
(E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+
InChI Key:
IHWVLAUNJHXFGN-DAFODLJHSA-N
SMILES:
OC(=O)C=Cc1c(F)ccc(c1Cl)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
217.995g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.584g/mol
Monoisotopic Mass:
217.995g/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