Home Other Building Blocks 2-CHLORO-3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

2-CHLORO-3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID

CAS No.:
1805457-37-7
Catalog Number:
AG01DTLT
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DTLT
Chemical Name:
2-CHLORO-3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
CAS Number:
1805457-37-7
Molecular Formula:
C8H3ClF4O2
Molecular Weight:
242.5548
MDL Number:
MFCD28752571
IUPAC Name:
2-chloro-3-fluoro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3ClF4O2/c9-5-3(7(14)15)1-2-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)
InChI Key:
YEIOOXKQWUDMRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1Cl)F)C(F)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.976g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.554g/mol
Monoisotopic Mass:
241.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties