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51935-42-3 | 1-Chloro-4-hydrazinylphthalazine
CAS No: 51935-42-3 Catalog No: AG003E85 MDL No:MFCD00490041
Product Description
Catalog Number:
AG003E85
Chemical Name:
1-Chloro-4-hydrazinylphthalazine
CAS Number:
51935-42-3
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
MDL Number:
MFCD00490041
IUPAC Name:
(4-chlorophthalazin-1-yl)hydrazine
InChI:
InChI=1S/C8H7ClN4/c9-7-5-3-1-2-4-6(5)8(11-10)13-12-7/h1-4H,10H2,(H,11,13)
InChI Key:
UQTJGZYAFKMABR-UHFFFAOYSA-N
SMILES:
NNc1nnc(c2c1cccc2)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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