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93343-10-3 | 1,3-Difluoro-5-methoxybenzene
CAS No: 93343-10-3 Catalog No: AG003IMR MDL No:MFCD00042560
Product Description
Catalog Number:
AG003IMR
Chemical Name:
1,3-Difluoro-5-methoxybenzene
CAS Number:
93343-10-3
Molecular Formula:
C7H6F2O
Molecular Weight:
144.1187
MDL Number:
MFCD00042560
IUPAC Name:
1,3-difluoro-5-methoxybenzene
InChI:
InChI=1S/C7H6F2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:
OTGQPYSISUUHAF-UHFFFAOYSA-N
SMILES:
COc1cc(F)cc(c1)F
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.039g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.121g/mol
Monoisotopic Mass:
144.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Resonance-enhanced two-photon ionization spectroscopy and theoretical calculations of 3,5-difluoroanisole and its Ar-containing complex. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001 |
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