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Also known as: 4-{5-chloro-2-[4-(trimethylsilyl)-1h-1,2,3-triazol-1-yl]phenyl}-6-methoxypyrimidine, Gjnsqupgexrqbe-uhfffaoysa-n, Sy345755, 1802430-53-0
Molecular Formula
C16H18ClN5OSi
Molecular Weight
359.88  g/mol
InChI Key
GJNSQUPGEXRQBE-UHFFFAOYSA-N

CAS 1802430-53-0
1 2D Structure

CAS 1802430-53-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-trimethylsilane
2.1.2 InChI
InChI=1S/C16H18ClN5OSi/c1-23-15-8-13(18-10-19-15)12-7-11(17)5-6-14(12)22-9-16(20-21-22)24(2,3)4/h5-10H,1-4H3
2.1.3 InChI Key
GJNSQUPGEXRQBE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=NC=NC(=C1)C2=C(C=CC(=C2)Cl)N3C=C(N=N3)[Si](C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-{5-chloro-2-[4-(trimethylsilyl)-1h-1,2,3-triazol-1-yl]phenyl}-6-methoxypyrimidine

2. Gjnsqupgexrqbe-uhfffaoysa-n

3. Sy345755

4. 1802430-53-0

2.3 Create Date
2017-01-24
3 Chemical and Physical Properties
Molecular Weight 359.88 g/mol
Molecular Formula C16H18ClN5OSi
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area65.7
Heavy Atom Count24
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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