200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1020236-41-2
1020236-41-2 | 1H-Pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-1-ethyl-, ethyl ester
CAS No: 1020236-41-2 Catalog No: AG0006BP MDL No:
Product Description
Catalog Number:
AG0006BP
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-1-ethyl-, ethyl ester
CAS Number:
1020236-41-2
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
IUPAC Name:
ethyl 5-(4-bromophenyl)-1-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C14H15BrN2O2/c1-3-17-13(10-5-7-11(15)8-6-10)9-12(16-17)14(18)19-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
CFGNBNPGULLJHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)c1ccc(cc1)Br)CC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^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.