Molecular Structure:
CAS No.:
36945-98-9
Product Name.:
CCD No.:CCD00240976
Formula:C16 H13 N3 O4
MolWeight:311.296
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| Product Name： | ICILIN |
| CAS： | 36945-98-9 |
| English Synonyms： | 2(1H)-PYRIMIDINONE,3,6-DIHYDRO-1-(2-HYDROXYPHENYL)-4-(3-NITROPHENYL)- ; 1-(2-HYDROXYPHENYL)-4-(3-NITROPHENYL)-1,2,3,6-TETRAHYDROPYRIMIDIN-2-ONE ; ICILIN ; AG 3-5 ; 3,4-DIHYDRO-3-(2-HYDROXYPHENYL)-6-(3-NITROPHENYL)-(1H)-PYRIMIDIN-2-ONE ; 3,6-DIHYDRO-1-(2-HYDROXYPHENYL)-4-(3-NITROPHENYL)-2(1H)-PYRIMIDINONE |
| MDL Number.： | MFCD01689072 |
| H bond acceptor： | 7 |
| H bond donor： | 2 |
| Smile： | c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O |
| InChi： | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) |
| InChiKey： | InChIKey=RCEFMOGVOYEGJN-UHFFFAOYSA-N |
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| Symbol： |
GHS07
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| Signal word： | Warning |
| Hazard statements： | H302-H312-H332 |
| Precautionary statements： | P280 |
| hazard symbol： | Xn |
| Risk Code： | R:20/21/22 |
| Safe Code： | S:26-36 |
| WGK Germany： | 3 |
Basic Information
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