200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 80199-91-3
80199-91-3 | 1H-Pyrazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS No: 80199-91-3 Catalog No: AG0054DJ MDL No:
Product Description
Catalog Number:
AG0054DJ
Chemical Name:
1H-Pyrazole, 1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS Number:
80199-91-3
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
1-[2-(4-phenylmethoxyphenoxy)ethyl]pyrazole
InChI:
InChI=1S/C18H18N2O2/c1-2-5-16(6-3-1)15-22-18-9-7-17(8-10-18)21-14-13-20-12-4-11-19-20/h1-12H,13-15H2
InChI Key:
RFRBJZJJRAPFHP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)OCCn1cccn1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.