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30369-82-5 | 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(phenylmethyl)-
CAS No: 30369-82-5 Catalog No: AG002ZVL MDL No:MFCD00452915
Product Description
Catalog Number:
AG002ZVL
Chemical Name:
1,3,5-Triazin-2-amine, 4,6-dichloro-N-(phenylmethyl)-
CAS Number:
30369-82-5
Molecular Formula:
C10H8Cl2N4
Molecular Weight:
255.1033
MDL Number:
MFCD00452915
IUPAC Name:
N-benzyl-4,6-dichloro-1,3,5-triazin-2-amine
InChI:
InChI=1S/C10H8Cl2N4/c11-8-14-9(12)16-10(15-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14,15,16)
InChI Key:
QFEAITOMWXXDME-UHFFFAOYSA-N
SMILES:
Clc1nc(NCc2ccccc2)nc(n1)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.102g/mol
Monoisotopic Mass:
254.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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