sales@angenesci.com
Login | Register
logo
Structures Search
Home Boronic acids 3-(Benzyloxycarbonylamino)-5-nitrophenylboronic acid

3-(Benzyloxycarbonylamino)-5-nitrophenylboronic acid

CAS No.:
874219-56-4
Catalog Number:
AG008DKH
Molecular Formula:
C14H13BN2O6
Molecular Weight:
316.0738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG008DKH
Chemical Name:
3-(Benzyloxycarbonylamino)-5-nitrophenylboronic acid
CAS Number:
874219-56-4
Molecular Formula:
C14H13BN2O6
Molecular Weight:
316.0738
MDL Number:
MFCD08235090
IUPAC Name:
[3-nitro-5-(phenylmethoxycarbonylamino)phenyl]boronic acid
InChI:
InChI=1S/C14H13BN2O6/c18-14(23-9-10-4-2-1-3-5-10)16-12-6-11(15(19)20)7-13(8-12)17(21)22/h1-8,19-20H,9H2,(H,16,18)
InChI Key:
DNBCLFIDIDSVDL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(cc(c1)[N+](=O)[O-])B(O)O)OCc1ccccc1
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.087g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
316.076g/mol
Monoisotopic Mass:
316.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties