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13697-89-7 | Benzene, 1,3-difluoro-2-iodo-
CAS No: 13697-89-7 Catalog No: AG0012MP MDL No:MFCD04039247
Product Description
Catalog Number:
AG0012MP
Chemical Name:
Benzene, 1,3-difluoro-2-iodo-
CAS Number:
13697-89-7
Molecular Formula:
C6H3F2I
Molecular Weight:
239.9893
MDL Number:
MFCD04039247
IUPAC Name:
1,3-difluoro-2-iodobenzene
InChI:
InChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:
VQMXWPLTZBKNEH-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1I)F
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.925g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.991g/mol
Monoisotopic Mass:
239.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Laser-induced 3D alignment and orientation of quantum state-selected molecules. | Physical chemistry chemical physics : PCCP 20091114 |
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