885269-30-7
N-[(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]-BETA-ALANINE
NameN-[(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]-BETA-ALANINE
1Identification
【Name】
N-[(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]-BETA-ALANINE
【CAS】
【MDL】
MFCD06409446
【English Synonyms】
【Formula】
C16 H17 N O4 S
【MolWeight】
319.379
【Inchi】
InChI=1S/C16H17NO4S/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)22(20,21)17-11-10-16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)
【InChIKey】
InChIKey=CBDXXWBTRXNQQG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCCC(=O)O
【MOL File】
N-[(4'-METHYL[1,1'-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[(4'-METHYL[1,1'-BIPHENYL]-4-YL)SULFONYL]-BETA-ALANINE.cml