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Home > Fluorides > 131020-71-8
131020-71-8 | 1H-Pyrazole, 1-[3-[4-(3,5-difluorophenoxy)phenoxy]propyl]-
CAS No: 131020-71-8 Catalog No: AG000VC8 MDL No:
Product Description
Catalog Number:
AG000VC8
Chemical Name:
1H-Pyrazole, 1-[3-[4-(3,5-difluorophenoxy)phenoxy]propyl]-
CAS Number:
131020-71-8
Molecular Formula:
C18H16F2N2O2
Molecular Weight:
330.3286
IUPAC Name:
1-[3-[4-(3,5-difluorophenoxy)phenoxy]propyl]pyrazole
InChI:
InChI=1S/C18H16F2N2O2/c19-14-11-15(20)13-18(12-14)24-17-5-3-16(4-6-17)23-10-2-9-22-8-1-7-21-22/h1,3-8,11-13H,2,9-10H2
InChI Key:
ZJSGCZIIDLSWJK-UHFFFAOYSA-N
SMILES:
Fc1cc(Oc2ccc(cc2)OCCCn2cccn2)cc(c1)F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.118g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.335g/mol
Monoisotopic Mass:
330.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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