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Ks176

CAS No.:
1253452-78-6
Catalog Number:
AG000NIL
Molecular Formula:
C22H19N3O5
Molecular Weight:
405.4034
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$187
- +
10mg
≥98%
1 week
United States
$300
- +
25mg
≥98%
1 week
United States
$621
- +
50mg
99%
1 week
United States
$1057
- +
100mg
99%
1 week
United States
$1707
- +
Product Description
Catalog Number:
AG000NIL
Chemical Name:
Ks176
CAS Number:
1253452-78-6
Molecular Formula:
C22H19N3O5
Molecular Weight:
405.4034
MDL Number:
MFCD22666402
IUPAC Name:
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-nitrobenzoyl)amino]benzamide
InChI:
InChI=1S/C22H19N3O5/c26-14-13-15-5-9-17(10-6-15)23-22(28)19-3-1-2-4-20(19)24-21(27)16-7-11-18(12-8-16)25(29)30/h1-12,26H,13-14H2,(H,23,28)(H,24,27)
InChI Key:
LTWQQWSXYYXVGA-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.132g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
405.41g/mol
Monoisotopic Mass:
405.132g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties