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207562-39-8 | Benzoic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, butyl ester
CAS No: 207562-39-8 Catalog No: AG002J4H MDL No:
Product Description
Catalog Number:
AG002J4H
Chemical Name:
Benzoic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, butyl ester
CAS Number:
207562-39-8
Molecular Formula:
C14H14Cl2N4O2
Molecular Weight:
341.1926
IUPAC Name:
butyl 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoate
InChI:
InChI=1S/C14H14Cl2N4O2/c1-2-3-8-22-11(21)9-4-6-10(7-5-9)17-14-19-12(15)18-13(16)20-14/h4-7H,2-3,8H2,1H3,(H,17,18,19,20)
InChI Key:
ICLCNEAHXVPQMJ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(cc1)Nc1nc(Cl)nc(n1)Cl
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.049g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.192g/mol
Monoisotopic Mass:
340.049g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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