730242-83-8
3-([(4-FLUOROBENZYL)AMINO]CARBONYL)PYRAZINE-2-CARBOXYLIC ACID
Name3-([(4-FLUOROBENZYL)AMINO]CARBONYL)PYRAZINE-2-CARBOXYLIC ACID
1Identification
【Name】
3-([(4-FLUOROBENZYL)AMINO]CARBONYL)PYRAZINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03971666
【English Synonyms】
【Formula】
C13 H10 F N3 O3
【MolWeight】
275.238
【Inchi】
InChI=1S/C13H10FN3O3/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(19)20)16-6-5-15-10/h1-6H,7H2,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=GDLWGDAQBFDEPC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CNC(=O)c2c(nccn2)C(=O)O)F
【MOL File】
3-([(4-FLUOROBENZYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-([(4-FLUOROBENZYL)AMINO]CARBONYL)PYRAZINE-2-CARBOXYLIC ACID.cml