765269-29-2
3-BROMO-4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID
Name3-BROMO-4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID
1Identification
【Name】
3-BROMO-4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD09907666
【English Synonyms】
【Formula】
C13 H17 Br N2 O2
【MolWeight】
313.193
【Inchi】
InChI=1S/C13H17BrN2O2/c1-15-4-6-16(7-5-15)9-11-3-2-10(13(17)18)8-12(11)14/h2-3,8H,4-7,9H2,1H3,(H,17,18)
【InChIKey】
InChIKey=WETDNKVHFVQZND-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)Cc2ccc(cc2Br)C(=O)O
【MOL File】
3-BROMO-4-((4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-4-((4-METHYLPIPERAZIN-1-YL)METHYL)BENZOIC ACID.cml