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20110-66-1 | Benzenesulfonyl fluoride, 4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethoxy]-
CAS No: 20110-66-1 Catalog No: AG002D80 MDL No:
Product Description
Catalog Number:
AG002D80
Chemical Name:
Benzenesulfonyl fluoride, 4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]ethoxy]-
CAS Number:
20110-66-1
Molecular Formula:
C19H21ClFN5O4S
Molecular Weight:
469.9175
IUPAC Name:
4-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethoxy]benzenesulfonyl fluoride
InChI:
InChI=1S/C19H21ClFN5O4S/c1-19(2)25-17(22)24-18(23)26(19)12-3-8-16(15(20)11-12)30-10-9-29-13-4-6-14(7-5-13)31(21,27)28/h3-8,11H,9-10H2,1-2H3,(H4,22,23,24,25)
InChI Key:
MHFIVUKREFWNBG-UHFFFAOYSA-N
SMILES:
NC1=NC(N(C(=N1)N)c1ccc(c(c1)Cl)OCCOc1ccc(cc1)S(=O)(=O)F)(C)C
NSC Number:
212213
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.099g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
469.916g/mol
Monoisotopic Mass:
469.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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