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Home Boronic acids 3-(N-Propylaminocarbonyl)-5-nitrophenylboronic acid

3-(N-Propylaminocarbonyl)-5-nitrophenylboronic acid

CAS No.:
871332-88-6
Catalog Number:
AG004KM7
Molecular Formula:
C10H13BN2O5
Molecular Weight:
252.0316
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$188
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG004KM7
Chemical Name:
3-(N-Propylaminocarbonyl)-5-nitrophenylboronic acid
CAS Number:
871332-88-6
Molecular Formula:
C10H13BN2O5
Molecular Weight:
252.0316
MDL Number:
MFCD07783880
IUPAC Name:
[3-nitro-5-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BN2O5/c1-2-3-12-10(14)7-4-8(11(15)16)6-9(5-7)13(17)18/h4-6,15-16H,2-3H2,1H3,(H,12,14)
InChI Key:
HNHYFGGDBCBQMF-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.092g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.033g/mol
Monoisotopic Mass:
252.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties