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157068-04-7 | Benzene, 1-(chloromethyl)-4-fluoro-2-methoxy-
CAS No: 157068-04-7 Catalog No: AG001P6N MDL No:
Product Description
Catalog Number:
AG001P6N
Chemical Name:
Benzene, 1-(chloromethyl)-4-fluoro-2-methoxy-
CAS Number:
157068-04-7
Molecular Formula:
C8H8ClFO
Molecular Weight:
174.5999
IUPAC Name:
1-(chloromethyl)-4-fluoro-2-methoxybenzene
InChI:
InChI=1S/C8H8ClFO/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4H,5H2,1H3
InChI Key:
UWENSPCOUMZCBU-UHFFFAOYSA-N
SMILES:
COc1cc(F)ccc1CCl
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.599g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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