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Home > Boronic Acids > 850568-15-9

850568-15-9

850568-15-9 | (4-(Cyclopentylcarbamoyl)phenyl)boronic acid

CAS No: 850568-15-9 Catalog No: AG004PC4 MDL No:MFCD03788418

Product Description

Catalog Number:
AG004PC4
Chemical Name:
(4-(Cyclopentylcarbamoyl)phenyl)boronic acid
CAS Number:
850568-15-9
Molecular Formula:
C12H16BNO3
Molecular Weight:
233.0713
MDL Number:
MFCD03788418
IUPAC Name:
[4-(cyclopentylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO3/c15-12(14-11-3-1-2-4-11)9-5-7-10(8-6-9)13(16)17/h5-8,11,16-17H,1-4H2,(H,14,15)
InChI Key:
VMJFATWKBZYOFO-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NC1CCCC1)O

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.074g/mol
Monoisotopic Mass:
233.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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