54850-04-3
BENZOIC ACID, 2-HYDROXY-,3,5-DICHLORO-, 4-NITROPHENYL ESTER
Name
BENZOIC ACID, 2-HYDROXY-,3,5-DICHLORO-, 4-NITROPHENYL ESTER
Formula
C13 H7 Cl2 N O5
MolWeight
328.106
1Identification
【Name】
BENZOIC ACID, 2-HYDROXY-,3,5-DICHLORO-, 4-NITROPHENYL ESTER
【CAS】
【MDL】
MFCD21496215
【English Synonyms】
【Formula】
C13 H7 Cl2 N O5
【MolWeight】
328.106
【Inchi】
InChI=1S/C13H7Cl2NO5/c14-7-5-10(12(17)11(15)6-7)13(18)21-9-3-1-8(2-4-9)16(19)20/h1-6,17H
【InChIKey】
InChIKey=ZSYGVDBGCAVEJD-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1[N+](=O)[O-])OC(=O)c2cc(cc(c2O)Cl)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 2-HYDROXY-,3,5-DICHLORO-, 4-NITROPHENYL ESTER.cml
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