Home Boronic acids 3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid

3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid

CAS No.:
871332-90-0
Catalog Number:
AG004OF4
Molecular Formula:
C14H13BN2O5
Molecular Weight:
300.0744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG004OF4
Chemical Name:
3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid
CAS Number:
871332-90-0
Molecular Formula:
C14H13BN2O5
Molecular Weight:
300.0744
MDL Number:
MFCD07783882
IUPAC Name:
[3-(benzylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C14H13BN2O5/c18-14(16-9-10-4-2-1-3-5-10)11-6-12(15(19)20)8-13(7-11)17(21)22/h1-8,19-20H,9H2,(H,16,18)
InChI Key:
XZIKQHJBSBUSGP-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1)O
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.092g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
300.077g/mol
Monoisotopic Mass:
300.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties