200,000+ products from a single source!
sales@angenechem.com
147238-35-5 | 4(1H)-Pyridazinone, 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]-, (2E)-2-butenedioate (1:1)
CAS No: 147238-35-5 Catalog No: AG001ER2 MDL No:
Product Description
Catalog Number:
AG001ER2
Chemical Name:
4(1H)-Pyridazinone, 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]-, (2E)-2-butenedioate (1:1)
CAS Number:
147238-35-5
Molecular Formula:
C20H22F3N3O6
Molecular Weight:
457.4004
IUPAC Name:
but-2-enedioic acid;3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
InChI:
InChI=1S/C16H18F3N3O2.C4H4O4/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19;5-3(6)1-2-4(7)8/h4-6,9-10H,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
LRHFHEVUQKTRAJ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.CN(CCOc1nn(c2cccc(c2)C(F)(F)F)c(cc1=O)C)C
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.146g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
457.406g/mol
Monoisotopic Mass:
457.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.