Home Halogens 2-{[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl}-4-methylpentanoic acid

2-{[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl}-4-methylpentanoic acid

CAS No.:
1502179-34-1
Catalog Number:
AG01AN8Z
Molecular Formula:
C11H17ClN4O3
Molecular Weight:
288.7307
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Product Description
Catalog Number:
AG01AN8Z
Chemical Name:
2-{[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl}-4-methylpentanoic acid
CAS Number:
1502179-34-1
Molecular Formula:
C11H17ClN4O3
Molecular Weight:
288.7307
MDL Number:
MFCD23386938
IUPAC Name:
2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]-4-methylpentanoic acid
InChI:
InChI=1S/C11H17ClN4O3/c1-6(2)4-7(8(17)18)5-13-10-14-9(12)15-11(16-10)19-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChI Key:
WTSJDBNIFXCUSK-UHFFFAOYSA-N
SMILES:
COc1nc(NCC(C(=O)O)CC(C)C)nc(n1)Cl
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
288.732g/mol
Monoisotopic Mass:
288.099g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties