126069-80-5
2-(2-(N-(3-NITROPHENYL)CARBAMOYL)PHENYL)ACETIC ACID
Name2-(2-(N-(3-NITROPHENYL)CARBAMOYL)PHENYL)ACETIC ACID
1Identification
【Name】
2-(2-(N-(3-NITROPHENYL)CARBAMOYL)PHENYL)ACETIC ACID
【CAS】
【MDL】
MFCD01567684
【English Synonyms】
【Formula】
C15 H12 N2 O5
【MolWeight】
300.269
【Inchi】
InChI=1S/C15H12N2O5/c18-14(19)8-10-4-1-2-7-13(10)15(20)16-11-5-3-6-12(9-11)17(21)22/h1-7,9H,8H2,(H,16,20)(H,18,19)
【InChIKey】
InChIKey=NRNCPFWSAOSRER-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CC(=O)O)C(=O)Nc2cccc(c2)[N+](=O)[O-]
【MOL File】
2-(2-(N-(3-NITROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(N-(3-NITROPHENYL)CARBAMOYL)PHENYL)ACETIC ACID.cml