200,000+ products from a single source!
sales@angenechem.com
192702-54-8 | 1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-, ethyl ester
CAS No: 192702-54-8 Catalog No: AG002G8L MDL No:
Product Description
Catalog Number:
AG002G8L
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4-methyl-, ethyl ester
CAS Number:
192702-54-8
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C13H13ClN2O2/c1-3-18-13(17)12-8(2)11(15-16-12)9-4-6-10(14)7-5-9/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key:
VRUCKROMEJYKDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1C)c1ccc(cc1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
© 2019 Angene International Limited. All rights Reserved.