Home Other Building Blocks RQ-00203078

RQ-00203078

CAS No.:
1254205-52-1
Catalog Number:
AG009CK5
Molecular Formula:
C21H13ClF6N2O5S
Molecular Weight:
554.8467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$133
- +
10mg
99%
1 week
United States
$182
- +
50mg
99%
1 week
United States
$404
- +
100mg
99%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG009CK5
Chemical Name:
RQ-00203078
CAS Number:
1254205-52-1
Molecular Formula:
C21H13ClF6N2O5S
Molecular Weight:
554.8467
MDL Number:
MFCD29049510
IUPAC Name:
4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
InChI:
InChI=1S/C21H13ClF6N2O5S/c22-17-9-14(20(23,24)25)10-29-18(17)30(11-12-1-5-15(6-2-12)35-21(26,27)28)36(33,34)16-7-3-13(4-8-16)19(31)32/h1-10H,11H2,(H,31,32)
InChI Key:
IJGQFZYYEHCCIZ-UHFFFAOYSA-N
SMILES:
Clc1cc(cnc1N(S(=O)(=O)c1ccc(cc1)C(=O)O)Cc1ccc(cc1)OC(F)(F)F)C(F)(F)F
Properties
Complexity:
852  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.014g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
554.844g/mol
Monoisotopic Mass:
554.014g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Properties