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452-73-3 | 2-Chloro-4-fluoro-1-methylbenzene
CAS No: 452-73-3 Catalog No: AG003GX8 MDL No:MFCD00000572
Product Description
Catalog Number:
AG003GX8
Chemical Name:
2-Chloro-4-fluoro-1-methylbenzene
CAS Number:
452-73-3
Molecular Formula:
C7H6ClF
Molecular Weight:
144.5739
MDL Number:
MFCD00000572
IUPAC Name:
2-chloro-4-fluoro-1-methylbenzene
InChI:
InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChI Key:
CSARJIQZOSVYHA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)C
EC Number:
207-209-8
NSC Number:
88317
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.014g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.573g/mol
Monoisotopic Mass:
144.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Spectroscopic identification of benzyl-type radicals generated by corona discharge of 2-chloro-4-fluorotoluene. | The Journal of chemical physics 20120507 |
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