883231-25-2
[2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIMIDIN-5-YL]BORONIC ACID
Name[2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIMIDIN-5-YL]BORONIC ACID
1Identification
【Name】
[2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIMIDIN-5-YL]BORONIC ACID
【CAS】
【MDL】
MFCD16251533
【English Synonyms】
【Formula】
C9 H14 B N3 O4
【MolWeight】
239.038
【Inchi】
InChI=1S/C9H14BN3O4/c1-9(2,3)17-8(14)13-7-11-4-6(5-12-7)10(15)16/h4-5,15-16H,1-3H3,(H,11,12,13,14)
【InChIKey】
InChIKey=IOLSSXXMDVLBHF-UHFFFAOYSA-N
【SMILES】
B(c1cnc(nc1)NC(=O)OC(C)(C)C)(O)O
【MOL File】
[2-[(TERT-BUTOXYCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIMIDIN-5-YL]BORONIC ACID.cml