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149982-17-2 | Boronic acid, [1-(acetylamino)-2-(4-fluorophenyl)ethyl]-, (R)- (9CI)
CAS No: 149982-17-2 Catalog No: AG001M6H MDL No:
Product Description
Catalog Number:
AG001M6H
Chemical Name:
Boronic acid, [1-(acetylamino)-2-(4-fluorophenyl)ethyl]-, (R)- (9CI)
CAS Number:
149982-17-2
Molecular Formula:
C10H13BFNO3
Molecular Weight:
225.0245
IUPAC Name:
[1-acetamido-2-(4-fluorophenyl)ethyl]boronic acid
InChI:
InChI=1S/C10H13BFNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10,15-16H,6H2,1H3,(H,13,14)
InChI Key:
IRDYSTDGVPTYRF-UHFFFAOYSA-N
SMILES:
OB([C@H](Cc1ccc(cc1)F)NC(=O)C)O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.097g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.026g/mol
Monoisotopic Mass:
225.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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