Home Other Building Blocks TRANS-3,4,5-TRIFLUOROCINNAMIC ACID

TRANS-3,4,5-TRIFLUOROCINNAMIC ACID

CAS No.:
331245-88-6
Catalog Number:
AG00CJ1L
Molecular Formula:
C9H5F3O2
Molecular Weight:
202.1300
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CJ1L
Chemical Name:
TRANS-3,4,5-TRIFLUOROCINNAMIC ACID
CAS Number:
331245-88-6
Molecular Formula:
C9H5F3O2
Molecular Weight:
202.1300
MDL Number:
MFCD00083529
IUPAC Name:
(E)-3-(3,4,5-trifluorophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)/b2-1+
InChI Key:
PHIWFMZBVZFEQJ-OWOJBTEDSA-N
SMILES:
OC(=O)C=Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
202.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.132g/mol
Monoisotopic Mass:
202.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties