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2324-98-3 | Benzene, 1,2,4,5-tetrafluoro-3-methoxy-
CAS No: 2324-98-3 Catalog No: AG002MN2 MDL No:MFCD00000311
Product Description
Catalog Number:
AG002MN2
Chemical Name:
Benzene, 1,2,4,5-tetrafluoro-3-methoxy-
CAS Number:
2324-98-3
Molecular Formula:
C7H4F4O
Molecular Weight:
180.0997
MDL Number:
MFCD00000311
IUPAC Name:
1,2,4,5-tetrafluoro-3-methoxybenzene
InChI:
InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
InChI Key:
AXCOCGJDERQVDK-UHFFFAOYSA-N
SMILES:
COc1c(F)c(F)cc(c1F)F
EC Number:
219-037-0
NSC Number:
96891
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.102g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Molecular structure and internal rotation in 2,3,5,6-tetrafluoroanisole as studied by gas-phase electron diffraction and quantum chemical calculations. | The journal of physical chemistry. A 20050120 |
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