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7079-54-1 | 1-Fluoro-2-iodo-3-methoxybenzene
CAS No: 7079-54-1 Catalog No: AG003JF5 MDL No:MFCD03788539
Product Description
Catalog Number:
AG003JF5
Chemical Name:
1-Fluoro-2-iodo-3-methoxybenzene
CAS Number:
7079-54-1
Molecular Formula:
C7H6FIO
Molecular Weight:
252.0248
MDL Number:
MFCD03788539
IUPAC Name:
1-fluoro-2-iodo-3-methoxybenzene
InChI:
InChI=1S/C7H6FIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChI Key:
CPTMVKLYWHEOMG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1I)F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.027g/mol
Monoisotopic Mass:
251.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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