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3717-28-0 | 2-Chlorobenzaldehyde oxime
CAS No: 3717-28-0 Catalog No: AG003H1I MDL No:MFCD00016406
Product Description
Catalog Number:
AG003H1I
Chemical Name:
2-Chlorobenzaldehyde oxime
CAS Number:
3717-28-0
Molecular Formula:
C7H6ClNO
Molecular Weight:
155.5816
MDL Number:
MFCD00016406
IUPAC Name:
(NE)-N-[(2-chlorophenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
InChI Key:
FZIVKDWRLLMSEJ-WEVVVXLNSA-N
SMILES:
O/N=C/c1ccccc1Cl
EC Number:
223-065-9
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
155.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.581g/mol
Monoisotopic Mass:
155.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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