Home Other Building Blocks 2,3-Difluorocinnamic acid

2,3-Difluorocinnamic acid

CAS No.:
207981-48-4
Catalog Number:
AG002JE4
Molecular Formula:
C9H6F2O2
Molecular Weight:
184.1395
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$94
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Product Description
Catalog Number:
AG002JE4
Chemical Name:
2,3-Difluorocinnamic acid
CAS Number:
207981-48-4
Molecular Formula:
C9H6F2O2
Molecular Weight:
184.1395
MDL Number:
MFCD00061291
IUPAC Name:
(E)-3-(2,3-difluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6F2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key:
NVQHKPLMLCHFSU-SNAWJCMRSA-N
SMILES:
OC(=O)C=Cc1cccc(c1F)F
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
184.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.142g/mol
Monoisotopic Mass:
184.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties