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Home > Boronic Acids > 112725-17-4
112725-17-4 | DL-Phenylalanine, 4-borono-, hydrochloride
CAS No: 112725-17-4 Catalog No: AG0081VL MDL No:
Product Description
Catalog Number:
AG0081VL
Chemical Name:
DL-Phenylalanine, 4-borono-, hydrochloride
CAS Number:
112725-17-4
Molecular Formula:
C9H13BClNO4
Molecular Weight:
245.4678
IUPAC Name:
2-amino-3-(4-boronophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H12BNO4.ClH/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15;/h1-4,8,14-15H,5,11H2,(H,12,13);1H
InChI Key:
ITAYDCRFNXQNBL-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc(cc1)B(O)O)N.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
245.466g/mol
Monoisotopic Mass:
245.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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