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93033-57-9 | 3,5-dichlorobenzaldehyde oxime
CAS No: 93033-57-9 Catalog No: AG01CB2I MDL No:MFCD01313292
Product Description
Catalog Number:
AG01CB2I
Chemical Name:
3,5-dichlorobenzaldehyde oxime
CAS Number:
93033-57-9
Molecular Formula:
C7H5Cl2NO
Molecular Weight:
190.0267
MDL Number:
MFCD01313292
IUPAC Name:
(NE)-N-[(3,5-dichlorophenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C7H5Cl2NO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-4,11H/b10-4+
InChI Key:
AVZFLLLFEIZFGB-ONNFQVAWSA-N
SMILES:
O/N=C/c1cc(Cl)cc(c1)Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.023g/mol
Monoisotopic Mass:
188.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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