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306-18-3 | Propanedinitrile, 2-(2-phenylhydrazinylidene)-
CAS No: 306-18-3 Catalog No: AG0030N3 MDL No:MFCD00195983
Product Description
Catalog Number:
AG0030N3
Chemical Name:
Propanedinitrile, 2-(2-phenylhydrazinylidene)-
CAS Number:
306-18-3
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD00195983
IUPAC Name:
2-(phenylhydrazinylidene)propanedinitrile
InChI:
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,12H
InChI Key:
MENUYOGJCXAFFU-UHFFFAOYSA-N
SMILES:
N#CC(=NNc1ccccc1)C#N
NSC Number:
29560
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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