8-(3-CHLOROSTYRYL)CAFFEINE

CAS No.
147700-11-6 ;148589-13-3
CCD No.
CCD08058373
Formula
C16 H15 Cl N4 O2
MolWeight
330.773

Basic Information

Product Name: 8-(3-CHLOROSTYRYL)CAFFEINE
CAS: 147700-11-6 ;148589-13-3
English Synonyms: 1,3,7-TRIMETHYL-8-(3-CHLOROSTYRYL)XANTHINE ; (E)-8-[2-(3-CHLOROPHENYL)VINYL]-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE ; CSC ; 8-(3-CHLOROSTYRYL)CAFFEINE
MDL Number.: MFCD00934671
H bond acceptor: 6
H bond donor: 0
Smile: Cn1c(nc2c1c(=O)n(c(=O)n2C)C)/C=C/c3cccc(c3)Cl
InChi: InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
InChiKey: InChIKey=WBWFIUAVMCNYPG-BQYQJAHWSA-N

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