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Home > Fluorides > 122801-59-6
122801-59-6 | 1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-
CAS No: 122801-59-6 Catalog No: AG000JI3 MDL No:
Product Description
Catalog Number:
AG000JI3
Chemical Name:
1,1'-Biphenyl, 4'-methoxy-2-(trifluoromethyl)-
CAS Number:
122801-59-6
Molecular Formula:
C14H11F3O
Molecular Weight:
252.2317
IUPAC Name:
1-methoxy-4-[2-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C14H11F3O/c1-18-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15,16)17/h2-9H,1H3
InChI Key:
XOPKZGICZXMGBC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccccc1C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.236g/mol
Monoisotopic Mass:
252.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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