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Home > Boronic Acids > 871329-68-9
871329-68-9 | (4-(Azetidin-1-ylsulfonyl)phenyl)boronic acid
CAS No: 871329-68-9 Catalog No: AG004TVK MDL No:MFCD07363756
Product Description
Catalog Number:
AG004TVK
Chemical Name:
(4-(Azetidin-1-ylsulfonyl)phenyl)boronic acid
CAS Number:
871329-68-9
Molecular Formula:
C9H12BNO4S
Molecular Weight:
241.0719
MDL Number:
MFCD07363756
IUPAC Name:
[4-(azetidin-1-ylsulfonyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
InChI Key:
IOGLONDWRZETTA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)N1CCC1)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.068g/mol
Monoisotopic Mass:
241.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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