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Home Boronic acids 3-Chloro-4-(cyclohexylcarbamoyl)phenylboronic acid

3-Chloro-4-(cyclohexylcarbamoyl)phenylboronic acid

CAS No.:
957034-65-0
Catalog Number:
AG005Z04
Molecular Formula:
C13H17BClNO3
Molecular Weight:
281.5430
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG005Z04
Chemical Name:
3-Chloro-4-(cyclohexylcarbamoyl)phenylboronic acid
CAS Number:
957034-65-0
Molecular Formula:
C13H17BClNO3
Molecular Weight:
281.5430
MDL Number:
MFCD09475818
IUPAC Name:
[3-chloro-4-(cyclohexylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H17BClNO3/c15-12-8-9(14(18)19)6-7-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key:
MRKODTKFSLUDTB-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NC1CCCCC1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
281.543g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties