200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1159596-88-9
1159596-88-9 | "methyl 3-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-5-carboxylate"
CAS No: 1159596-88-9 Catalog No: AG01FLUE MDL No:MFCD13718175
Product Description
Catalog Number:
AG01FLUE
Chemical Name:
"methyl 3-{[1,1'-biphenyl]-4-yl}-1H-pyrazole-5-carboxylate"
CAS Number:
1159596-88-9
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
MDL Number:
MFCD13718175
IUPAC Name:
methyl 3-(4-phenylphenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C17H14N2O2/c1-21-17(20)16-11-15(18-19-16)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19)
InChI Key:
MLNDJPYVJPUGQC-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nc(c1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.