200,000+ products from a single source!
sales@angenechem.com
126067-88-7 | 1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-, lithium salt, mixt. with ethyl 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]propanoate (9CI)
CAS No: 126067-88-7 Catalog No: AG000R1A MDL No:
Product Description
Catalog Number:
AG000R1A
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-5-methyl-, lithium salt, mixt. with ethyl 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]propanoate (9CI)
CAS Number:
126067-88-7
Molecular Formula:
C11H8Cl2N2O2
Molecular Weight:
271.0994
IUPAC Name:
1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H8Cl2N2O2/c1-6-4-9(11(16)17)14-15(6)10-3-2-7(12)5-8(10)13/h2-5H,1H3,(H,16,17)
InChI Key:
KGCCBXHSOMDSPJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)n1nc(cc1C)C(=O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.097g/mol
Monoisotopic Mass:
269.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.