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138181-08-5

138181-08-5 | Phthalazine, 1,4-bis(4-fluorophenyl)-

CAS No: 138181-08-5 Catalog No: AG00185O MDL No:

Product Description

Catalog Number:
AG00185O
Chemical Name:
Phthalazine, 1,4-bis(4-fluorophenyl)-
CAS Number:
138181-08-5
Molecular Formula:
C20H12F2N2
Molecular Weight:
318.3195
IUPAC Name:
1,4-bis(4-fluorophenyl)phthalazine
InChI:
InChI=1S/C20H12F2N2/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(24-23-19)14-7-11-16(22)12-8-14/h1-12H
InChI Key:
BIEOUPFYJXALQO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc(c2c1cccc2)c1ccc(cc1)F

Properties

Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.097g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.327g/mol
Monoisotopic Mass:
318.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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