585517-09-5
3-CHLORO-4-PYRROLIDINOBENZOIC ACID
Name
3-CHLORO-4-PYRROLIDINOBENZOIC ACID
Formula
C11 H12 Cl N O2
MolWeight
225.674
1Identification
【Name】
3-CHLORO-4-PYRROLIDINOBENZOIC ACID
【CAS】
【MDL】
MFCD02628415
【English Synonyms】
【Formula】
C11 H12 Cl N O2
【MolWeight】
225.674
【Inchi】
InChI=1S/C11H12ClNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
【InChIKey】
InChIKey=ICTYJBKSXOEFEB-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)Cl)N2CCCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-PYRROLIDINOBENZOIC ACID.cml
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