53218-04-5
4-NITROBENZOIC ACID 3-BROMOBENZYL ESTER
Name4-NITROBENZOIC ACID 3-BROMOBENZYL ESTER
1Identification
【Name】
4-NITROBENZOIC ACID 3-BROMOBENZYL ESTER
【CAS】
【MDL】
MFCD06628198
【English Synonyms】
【Formula】
C14 H10 Br N O4
【MolWeight】
336.14
【Inchi】
InChI=1S/C14H10BrNO4/c15-12-3-1-2-10(8-12)9-20-14(17)11-4-6-13(7-5-11)16(18)19/h1-8H,9H2
【InChIKey】
InChIKey=UYRWIMBUJDXIRQ-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)COC(=O)c2ccc(cc2)[N+](=O)[O-]
【MOL File】
4-NITROBENZOIC ACID ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-NITROBENZOIC ACID 3-BROMOBENZYL ESTER.cml