6222-44-2
5-AMINO-3-((5-CHLORO-2-HYDROXYPHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT
Name
5-AMINO-3-((5-CHLORO-2-HYDROXYPHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT
Formula
C16 H10 Cl N3 O8 S2 . 2 Na
MolWeight
517.833
1Identification
【Name】
5-AMINO-3-((5-CHLORO-2-HYDROXYPHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT
【CAS】
【MDL】
MFCD19443508
【English Synonyms】
【Formula】
C16 H10 Cl N3 O8 S2 . 2 Na
【MolWeight】
517.833
【Inchi】
InChI=1S/C16H12ClN3O8S2.2Na/c17-8-1-2-12(21)11(5-8)19-20-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-10(18)14(7)16(15)22;;/h1-6,21-22H,18H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b20-19+;;
【InChIKey】
InChIKey=LXMPQKYJNAPKTC-LLIZZRELSA-L
【SMILES】
c1cc(c(cc1Cl)/N=N/c2c(cc3cc(cc(c3c2O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-3-((5-CHLORO-2-HYDROXYPHENYL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID DISODIUM SALT.cml
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