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19064-16-5 | Benzaldehyde, 2,6-difluoro-, oxime
CAS No: 19064-16-5 Catalog No: AG002EP4 MDL No:MFCD01764489
Product Description
Catalog Number:
AG002EP4
Chemical Name:
Benzaldehyde, 2,6-difluoro-, oxime
CAS Number:
19064-16-5
Molecular Formula:
C7H5F2NO
Molecular Weight:
157.1175
MDL Number:
MFCD01764489
IUPAC Name:
(NE)-N-[(2,6-difluorophenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C7H5F2NO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H/b10-4+
InChI Key:
PGWOZJHFLGQGDU-ONNFQVAWSA-N
SMILES:
ON=Cc1c(F)cccc1F
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
157.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.12g/mol
Monoisotopic Mass:
157.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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