sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 3(2H)-Pyridazinone, 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-

3(2H)-Pyridazinone, 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-

CAS No.:
89570-57-0
Catalog Number:
AG0086LD
Molecular Formula:
C10H4Cl2F3N3O
Molecular Weight:
310.0595
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0086LD
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
89570-57-0
Molecular Formula:
C10H4Cl2F3N3O
Molecular Weight:
310.0595
MDL Number:
MFCD07346327
IUPAC Name:
4,5-dichloro-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one
InChI:
InChI=1S/C10H4Cl2F3N3O/c11-6-4-17-18(9(19)8(6)12)7-2-1-5(3-16-7)10(13,14)15/h1-4H
InChI Key:
IFVQWALTALBCFO-UHFFFAOYSA-N
SMILES:
Clc1cnn(c(=O)c1Cl)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.968g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.057g/mol
Monoisotopic Mass:
308.968g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties