870808-28-9
5-IODO-2-(4-METHYL-3-NITROBENZOYLAMINO)BENZOIC ACID
Name5-IODO-2-(4-METHYL-3-NITROBENZOYLAMINO)BENZOIC ACID
1Identification
【Name】
5-IODO-2-(4-METHYL-3-NITROBENZOYLAMINO)BENZOIC ACID
【CAS】
【MDL】
MFCD12913604
【English Synonyms】
【Formula】
C15 H11 I N2 O5
【MolWeight】
426.161
【Inchi】
InChI=1S/C15H11IN2O5/c1-8-2-3-9(6-13(8)18(22)23)14(19)17-12-5-4-10(16)7-11(12)15(20)21/h2-7H,1H3,(H,17,19)(H,20,21)
【InChIKey】
InChIKey=UUXHZSLKSXWQGQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccc(cc2C(=O)O)I
【MOL File】
5-IODO-2-(4-METHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-IODO-2-(4-METHYL-3-NITROBENZOYLAMINO)BENZOIC ACID.cml