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4519-40-8 | 2,3-Difluoroaniline
CAS No: 4519-40-8 Catalog No: AG0032XR MDL No:MFCD00010298
Product Description
Catalog Number:
AG0032XR
Chemical Name:
2,3-Difluoroaniline
CAS Number:
4519-40-8
Molecular Formula:
C6H5F2N
Molecular Weight:
129.1074
MDL Number:
MFCD00010298
IUPAC Name:
2,3-difluoroaniline
InChI:
InChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChI Key:
YCCQGFYAVUTQFK-UHFFFAOYSA-N
SMILES:
Fc1c(N)cccc1F
EC Number:
224-847-2
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.039g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.11g/mol
Monoisotopic Mass:
129.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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