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131426-24-9 | Butanoic acid, 4-(2,4-dichlorophenoxy)-, hydrazide
CAS No: 131426-24-9 Catalog No: AG000W5W MDL No:MFCD01248815
Product Description
Catalog Number:
AG000W5W
Chemical Name:
Butanoic acid, 4-(2,4-dichlorophenoxy)-, hydrazide
CAS Number:
131426-24-9
Molecular Formula:
C10H12Cl2N2O2
Molecular Weight:
263.1205
MDL Number:
MFCD01248815
IUPAC Name:
4-(2,4-dichlorophenoxy)butanehydrazide
InChI:
InChI=1S/C10H12Cl2N2O2/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,13H2,(H,14,15)
InChI Key:
RDBMCLKAWBSLHK-UHFFFAOYSA-N
SMILES:
NNC(=O)CCCOc1ccc(cc1Cl)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.118g/mol
Monoisotopic Mass:
262.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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