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2646-91-5 | Benzaldehyde, 2,3-difluoro-
CAS No: 2646-91-5 Catalog No: AG002TBS MDL No:MFCD00010292
Product Description
Catalog Number:
AG002TBS
Chemical Name:
Benzaldehyde, 2,3-difluoro-
CAS Number:
2646-91-5
Molecular Formula:
C7H4F2O
Molecular Weight:
142.1029
MDL Number:
MFCD00010292
IUPAC Name:
2,3-difluorobenzaldehyde
InChI:
InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChI Key:
WDBAXYQUOZDFOJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1F)F
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.023g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.105g/mol
Monoisotopic Mass:
142.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Α-galactosylceramide analogs with weak agonist activity for human iNKT cells define new candidate anti-inflammatory agents. | PloS one 20100101 |
| Synthesis and optical resolution of aminophosphines with axially chiral C(aryl)-N(amine) bonds for use as ligands in asymmetric catalysis. | The Journal of organic chemistry 20060915 |
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