879609-79-7
2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
Name2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
1Identification
【Name】
2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
【CAS】
【MDL】
MFCD11975539
【English Synonyms】
【Formula】
C12 H15 B F3 N O4
【MolWeight】
305.059
【Inchi】
InChI=1S/C12H15BF3NO4/c1-11(2,3)21-10(18)17-9-6-7(12(14,15)16)4-5-8(9)13(19)20/h4-6,19-20H,1-3H3,(H,17,18)
【InChIKey】
InChIKey=XKUPYQIWBDNXAB-UHFFFAOYSA-N
【SMILES】
B(c1ccc(cc1NC(=O)OC(C)(C)C)C(F)(F)F)(O)O
【MOL File】
2-(TERT-BUTOXYCARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(TERT-BUTOXYCARBONYLAMINO)-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID.cml