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Rocepafant structure, CAS 132418-36-1

Rocepafant

CAS Number132418-36-1

SynonymsExact Mass 534.10600; PSA 127.90000; LogP 4.85180; Index of Refraction 1.766; Synonyms

Molecular FormulaC26H23ClN6OS2

Molecular Weight535.09

Purity98.00%

Density1.49g/cm3

Boiling Point754.4ºC at 760mmHg

Melting Point

Flash Point

Appearance

EINECS

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Cat. No.: 2A-9012328 Purity: 98.00%
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Quality Control of [ 132418-36-1 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number132418-36-1
Catalog No.2A-9012328
Chinese Name罗塞帕泛
SynonymsExact Mass 534.10600; PSA 127.90000; LogP 4.85180; Index of Refraction 1.766; Synonyms
Molecular FormulaC26H23ClN6OS2
Molecular Weight535.09
Purity98.00
Density1.49g/cm3
Boiling Point754.4ºC at 760mmHg
MDL NumberC26H23ClN6OS2
SMILESCOc1ccc(NC(=S)N2CCc3c(C2)sc4n5c(C)nnc5CN=C(c6ccccc6Cl)c34)cc1
InChIInChI=1S/C26H23ClN6OS2/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(35)29-16-7-9-17(34-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,35)
InChI KeyInChIKey=WBGAFGNZNGJVNW-UHFFFAOYSA-N
MSDSmsds/12328_1_132418_36_1.pdf
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