510773-06-5
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-(PHENYLMETHYL) ESTER
NameBENZOIC ACID, 3-AMINO-5-BORONO-, 1-(PHENYLMETHYL) ESTER
1Identification
【Name】
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-(PHENYLMETHYL) ESTER
【CAS】
【MDL】
MFCD22571885
【English Synonyms】
【Formula】
C14 H14 B N O4
【MolWeight】
271.079
【Inchi】
InChI=1S/C14H14BNO4/c16-13-7-11(6-12(8-13)15(18)19)14(17)20-9-10-4-2-1-3-5-10/h1-8,18-19H,9,16H2
【InChIKey】
InChIKey=OWEJOGOEKOSZDW-UHFFFAOYSA-N
【SMILES】
B(c1cc(cc(c1)N)C(=O)OCc2ccccc2)(O)O
【MOL File】
BENZOIC ACID, 3-AMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 3-AMINO-5-BORONO-, 1-(PHENYLMETHYL) ESTER.cml