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115168-69-9 | Glycine, N-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2-bromophenyl]-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CAS No: 115168-69-9 Catalog No: AG000GCL MDL No:
Product Description
Catalog Number:
AG000GCL
Chemical Name:
Glycine, N-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2-bromophenyl]-N-(2-ethoxy-2-oxoethyl)-, ethyl ester
CAS Number:
115168-69-9
Molecular Formula:
C19H17BrCl6N4O4
Molecular Weight:
657.9847
IUPAC Name:
ethyl 2-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2-bromo-N-(2-ethoxy-2-oxoethyl)anilino]acetate
InChI:
InChI=1S/C19H17BrCl6N4O4/c1-3-33-13(31)8-30(9-14(32)34-4-2)12-6-5-10(7-11(12)20)15-27-16(18(21,22)23)29-17(28-15)19(24,25)26/h5-7H,3-4,8-9H2,1-2H3
InChI Key:
DSNISQNGLMDZQX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN(c1ccc(cc1Br)c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)CC(=O)OCC
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
655.853g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
657.973g/mol
Monoisotopic Mass:
653.856g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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