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70097-63-1 | 2-Benzyloxy-benzotrifluoride
CAS No: 70097-63-1 Catalog No: AG01EX0W MDL No:
Product Description
Catalog Number:
AG01EX0W
Chemical Name:
2-Benzyloxy-benzotrifluoride
CAS Number:
70097-63-1
Molecular Formula:
C14H11F3O
Molecular Weight:
252.2317
IUPAC Name:
1-phenylmethoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H11F3O/c15-14(16,17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
DNKSXCATKBGGBZ-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1OCc1ccccc1)(F)F
Properties
Complexity:
246
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:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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