10132-99-7
SODIUM 4-[4-[(3-CHLORO-2-HYDROXY-5-NITROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
Name
SODIUM 4-[4-[(3-CHLORO-2-HYDROXY-5-NITROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
Formula
C16 H11 Cl N5 O7 S . Na
MolWeight
475.8
1Identification
【Name】
SODIUM 4-[4-[(3-CHLORO-2-HYDROXY-5-NITROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE
【CAS】
【MDL】
MFCD23160444
【English Synonyms】
【Formula】
C16 H11 Cl N5 O7 S . Na
【MolWeight】
475.8
【Inchi】
InChI=1S/C16H12ClN5O7S.Na/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1/b19-18+;
【InChIKey】
InChIKey=RDHAIEOCNXBZAH-LTRPLHCISA-M
【SMILES】
CC1=NN(C(=O)C1/N=N/c2cc(cc(c2O)Cl)[N+](=O)[O-])c3ccc(cc3)S(=O)(=O)[O-].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SODIUM 4-[4-[(3-CHLORO-2-HYDROXY-5-NITROPHENYL)AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULPHONATE.cml
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