Text Search
Structure Search

2-{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}propanoic acid

2-{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}propanoic acid

CAS: 93-78-7

Formula: C18H14ClF3N2O6

SMILES: CC(ON=C(C)C1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1[N+]([O-])=O)C(O)=O

IUPAC: 2-{[(1-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}ethylidene)amino]oxy}propanoic acid

InChI: InChI=1/C18H14ClF3N2O6/c1-9(23-30-10(2)17(25)26)13-8-12(4-5-15(13)24(27)28)29-16-6-3-11(7-14(16)19)18(20,21)22/h3-8,10H,1-2H3,(H,25,26)

Composition: C (48.39%), H (3.16%), Cl (7.93%), F (12.76%), N (6.27%), O (21.49%)

Molar Mass: 446.76

Atom Count: 44

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 446.0492484
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey AUDWNMRFKHRDOK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.68
Topological Polar Surface Area 111.26
Polarizability 37.01
Ring Count 2
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 93-78-7 $425.39$425.39
Request Quote