99099-78-2
2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
Name
2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
Formula
C19 H21 N3 O6 S
MolWeight
419.456
1Identification
【Name】
2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
【CAS】
【MDL】
MFCD06660544
【English Synonyms】
【Formula】
C19 H21 N3 O6 S
【MolWeight】
419.456
【Inchi】
InChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)29(26,27)28-12-17(23)19(25)18(24)16-11-20-22(21-16)14-5-3-2-4-6-14/h2-11,17-19,23-25H,12H2,1H3
【InChIKey】
InChIKey=WHXCEDUFWVSHQA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)OCC(C(C(c2cnn(n2)c3ccccc3)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE.cml
Quick Release
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Catalog No:DAY04662 nullnull
Country/Region:China
Business Type:Trading Company
http://www.daybiochem.com
Shanghai AOKChem Co., Limited
Catalog No:B12298 nullnull
Country/Region:China
Business Type:Trading Company
http://www.AOKchem.com
Enamine
Catalog No:EN300-13669 2.5G
Catalog No:EN300-13669 10G
Catalog No:EN300-13669 5G
Catalog No:EN300-13669 250MG
Catalog No:EN300-13669 500MG
Catalog No:EN300-13669 25G
Catalog No:EN300-13669 1G
Country/Region:Ukraine
Business Type:Trading Company
http://www.enamine.net
Youchemicals Limited
Catalog No:Y346188
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
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