219930-11-7
4-[(2,5-DICHLOROPHENYL)SULFONYL]-3-NITROBENZOIC ACID
Name4-[(2,5-DICHLOROPHENYL)SULFONYL]-3-NITROBENZOIC ACID
1Identification
【Name】
4-[(2,5-DICHLOROPHENYL)SULFONYL]-3-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD00105509
【English Synonyms】
【Formula】
C13 H7 Cl2 N O6 S
【MolWeight】
376.171
【Inchi】
InChI=1S/C13H7Cl2NO6S/c14-8-2-3-9(15)12(6-8)23(21,22)11-4-1-7(13(17)18)5-10(11)16(19)20/h1-6H,(H,17,18)
【InChIKey】
InChIKey=NGZIKFIAUWCONG-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)[N+](=O)[O-])S(=O)(=O)c2cc(ccc2Cl)Cl
【MOL File】
4-[(2,5-DICHLOROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(2,5-DICHLOROPHENYL)SULFONYL]-3-NITROBENZOIC ACID.cml