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30369-80-3 | 1,3,5-Triazin-2-amine, 4,6-dichloro-N-2-propen-1-yl-
CAS No: 30369-80-3 Catalog No: AG002ZVM MDL No:MFCD00776293
Product Description
Catalog Number:
AG002ZVM
Chemical Name:
1,3,5-Triazin-2-amine, 4,6-dichloro-N-2-propen-1-yl-
CAS Number:
30369-80-3
Molecular Formula:
C6H6Cl2N4
Molecular Weight:
205.0446
MDL Number:
MFCD00776293
IUPAC Name:
4,6-dichloro-N-prop-2-enyl-1,3,5-triazin-2-amine
InChI:
InChI=1S/C6H6Cl2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12)
InChI Key:
MXCZYRJBEZWBSA-UHFFFAOYSA-N
SMILES:
C=CCNc1nc(Cl)nc(n1)Cl
EC Number:
250-153-4
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.042g/mol
Monoisotopic Mass:
203.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^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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