CI REACTIVE ORANGE 12

CAS No.
35642-64-9
CCD No.
CCD00821561
Formula
C20 H16 Cl N9 O10 S3
MolWeight
674.05

Basic Information

Product Name: CI REACTIVE ORANGE 12
CAS: 35642-64-9
English Synonyms: CI REACTIVE ORANGE 12
MDL Number.: MFCD09838240
H bond acceptor: 19
H bond donor: 7
Smile: c1cc(c(cc1Nc2nc(nc(n2)Cl)N)NC(=O)N)/N=N/c3cc4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)cc3S(=O)(=O)O
InChi: InChI=1S/C20H16ClN9O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28)/b30-29+
InChiKey: InChIKey=GFPPLTJOYVDEIS-QVIHXGFCSA-N

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