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Home > Boronic Acids > 1025664-36-1
1025664-36-1 | Boronic acid, B-[4-(1-azetidinylcarbonyl)-3-fluorophenyl]-
CAS No: 1025664-36-1 Catalog No: AG0007Q1 MDL No:MFCD22200200
Product Description
Catalog Number:
AG0007Q1
Chemical Name:
Boronic acid, B-[4-(1-azetidinylcarbonyl)-3-fluorophenyl]-
CAS Number:
1025664-36-1
Molecular Formula:
C10H11BFNO3
Molecular Weight:
223.0086
MDL Number:
MFCD22200200
IUPAC Name:
[4-(azetidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO3/c13-10(12-6-1-7-12)8-2-4-9(5-3-8)11(14)15/h2-5,14-15H,1,6-7H2
InChI Key:
UZBJPDDOQVVNMF-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C(=O)N1CCC1)B(O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.02g/mol
Monoisotopic Mass:
205.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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