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1245646-40-5 | 1,2,4-Benzotriazine, 3-chloro-7-[2-chloro-5-[[(1,1-diMethylethyl)diphenylsilyl]oxy]phenyl]-5-Methyl-
CAS No: 1245646-40-5 Catalog No: AG000MBE MDL No:
Product Description
Catalog Number:
AG000MBE
Chemical Name:
1,2,4-Benzotriazine, 3-chloro-7-[2-chloro-5-[[(1,1-diMethylethyl)diphenylsilyl]oxy]phenyl]-5-Methyl-
CAS Number:
1245646-40-5
Molecular Formula:
C30H27Cl2N3OSi
Molecular Weight:
544.5464
IUPAC Name:
tert-butyl-[4-chloro-3-(3-chloro-5-methyl-1,2,4-benzotriazin-7-yl)phenoxy]-diphenylsilane
InChI:
InChI=1S/C30H27Cl2N3OSi/c1-20-17-21(18-27-28(20)33-29(32)35-34-27)25-19-22(15-16-26(25)31)36-37(30(2,3)4,23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-19H,1-4H3
InChI Key:
BXSGQJDAMIIRAR-UHFFFAOYSA-N
SMILES:
Clc1nnc2c(n1)c(C)cc(c2)c1cc(ccc1Cl)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
543.13g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.551g/mol
Monoisotopic Mass:
543.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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