57113-90-3
BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
NameBENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
1Identification
【Name】
BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER
【CAS】
【MDL】
MFCD06797690
【English Synonyms】
【Formula】
C13 H16 N2 O6
【MolWeight】
296.277
【Inchi】
InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-8(11(16)20-4)6-5-7-9(10)15(18)19/h5-7H,1-4H3,(H,14,17)
【InChIKey】
InChIKey=VEDIIGMQOAWKGH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)Nc1c(cccc1[N+](=O)[O-])C(=O)OC
【MOL File】
BENZOIC ACID, 2-[[(1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-3-NITRO-METHYL ESTER.cml