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34158-72-0 | 2-Bromobenzaldehyde oxime
CAS No: 34158-72-0 Catalog No: AG003GRH MDL No:MFCD00082734
Product Description
Catalog Number:
AG003GRH
Chemical Name:
2-Bromobenzaldehyde oxime
CAS Number:
34158-72-0
Molecular Formula:
C7H6BrNO
Molecular Weight:
200.0326
MDL Number:
MFCD00082734
IUPAC Name:
(NE)-N-[(2-bromophenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C7H6BrNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+
InChI Key:
PSIRFUPZHPEKAE-WEVVVXLNSA-N
SMILES:
O/N=C/c1ccccc1Br
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
198.963g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.035g/mol
Monoisotopic Mass:
198.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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