887596-04-5
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
Name1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD07787212
【English Synonyms】
【Formula】
C11 H12 N2 O4
【MolWeight】
236.226
【Inchi】
InChI=1S/C11H12N2O4/c1-17-11(14)8-6-12(7-8)9-2-4-10(5-3-9)13(15)16/h2-5,8H,6-7H2,1H3
【InChIKey】
InChIKey=NOKVALHWMPCNDG-UHFFFAOYSA-N
【SMILES】
COC(=O)C1CN(C1)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
1-(4-NITRO-PHENYL)-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER.cml