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

3-(Phenylaminocarbonyl)-5-nitrophenylboronic acid

CAS No.:
871332-91-1
Catalog Number:
AG00GTCZ
Molecular Formula:
C13H11BN2O5
Molecular Weight:
286.0478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
96%
In Stock USA
United States
$150
- +
25g
96%
In Stock USA
United States
$300
- +
100g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00GTCZ
Chemical Name:
3-(Phenylaminocarbonyl)-5-nitrophenylboronic acid
CAS Number:
871332-91-1
Molecular Formula:
C13H11BN2O5
Molecular Weight:
286.0478
MDL Number:
MFCD07783883
IUPAC Name:
[3-nitro-5-(phenylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H11BN2O5/c17-13(15-11-4-2-1-3-5-11)9-6-10(14(18)19)8-12(7-9)16(20)21/h1-8,18-19H,(H,15,17)
InChI Key:
MBBBPOZKRURPLD-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1)O
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.076g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
286.05g/mol
Monoisotopic Mass:
286.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties