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19962-27-7 | Benzene, 1-methyl-4-(phenoxymethyl)-
CAS No: 19962-27-7 Catalog No: AG002C98 MDL No:
Product Description
Catalog Number:
AG002C98
Chemical Name:
Benzene, 1-methyl-4-(phenoxymethyl)-
CAS Number:
19962-27-7
Molecular Formula:
C14H14O
Molecular Weight:
198.2604
IUPAC Name:
1-methyl-4-(phenoxymethyl)benzene
InChI:
InChI=1S/C14H14O/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChI Key:
QEXXENXGXSLHEJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COc1ccccc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.265g/mol
Monoisotopic Mass:
198.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis, in vitro and in silico NS5B polymerase inhibitory activity of benzimidazole derivatives. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20120701 |
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