1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]-tert-butyl-dimethylsilane

2.1.2 InChI

InChI=1S/C19H24BrClOSi/c1-19(2,3)23(4,5)22-17-9-6-14(7-10-17)12-15-13-16(20)8-11-18(15)21/h6-11,13H,12H2,1-5H3

2.1.3 InChI Key

DGZRKOVWOYLOAW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 864070-19-9

2. [4-(5-bromo-2-chloro-benzyl)-phenoxy]-tert-butyl-dimethyl-silane

3. 4-(5-bromo-2-chloro-benzyl)-phenoxyl-tert-butyl-dimethyl-silane

4. Starbld0000169

5. Schembl181184

6. Zinc202831777

7. Sb17551

8. Da-32000

9. Bromo-2-chlorobenzyl)phenoxy)(tert-butyl)dimethylsilane

10. 4-[(5-bromo-2-chlorophenyl)methyl]phenoxy(tert-butyl)dimethylsilane

2.3 Create Date

2012-08-20

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₄BrClOSi
Molecular Weight	411.8 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	410.04683 g/mol
Monoisotopic Mass	410.04683 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 864070-19-9