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16473-39-5 | Benzene, 1-(fluoromethyl)-4-methoxy-
CAS No: 16473-39-5 Catalog No: AG001V2J MDL No:
Product Description
Catalog Number:
AG001V2J
Chemical Name:
Benzene, 1-(fluoromethyl)-4-methoxy-
CAS Number:
16473-39-5
Molecular Formula:
C8H9FO
Molecular Weight:
140.1549
IUPAC Name:
1-(fluoromethyl)-4-methoxybenzene
InChI:
InChI=1S/C8H9FO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI Key:
FIXRFLCABDYIGE-UHFFFAOYSA-N
SMILES:
FCc1ccc(cc1)OC
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.157g/mol
Monoisotopic Mass:
140.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Hydrogen bonding and catalysis of solvolysis of 4-methoxybenzyl fluoride. | Journal of the American Chemical Society 20020821 |
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