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 Formula	C₁₆H₁₈ClN₅OSi
Molecular Weight	359.88 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	65.7
Heavy Atom Count	24
Formal Charge	0
Complexity	424
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

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