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1014-77-3 | 3-Pyridazinamine, 6-chloro-N-cyclohexyl-
CAS No: 1014-77-3 Catalog No: AG0004EX MDL No:MFCD00968568
Product Description
Catalog Number:
AG0004EX
Chemical Name:
3-Pyridazinamine, 6-chloro-N-cyclohexyl-
CAS Number:
1014-77-3
Molecular Formula:
C10H14ClN3
Molecular Weight:
211.6913
MDL Number:
MFCD00968568
IUPAC Name:
6-chloro-N-cyclohexylpyridazin-3-amine
InChI:
InChI=1S/C10H14ClN3/c11-9-6-7-10(14-13-9)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,12,14)
InChI Key:
PMMCLFWZCPFXAP-UHFFFAOYSA-N
SMILES:
Clc1ccc(nn1)NC1CCCCC1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.693g/mol
Monoisotopic Mass:
211.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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