Home Boronic acids 4-(1H-Tetrazol-5-yl-carbamoyl)phenylboronic acid, HCl

4-(1H-Tetrazol-5-yl-carbamoyl)phenylboronic acid, HCl

CAS No.:
850568-31-9
Catalog Number:
AG004SI4
Molecular Formula:
C8H9BClN5O3
Molecular Weight:
269.4528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG004SI4
Chemical Name:
4-(1H-Tetrazol-5-yl-carbamoyl)phenylboronic acid, HCl
CAS Number:
850568-31-9
Molecular Formula:
C8H9BClN5O3
Molecular Weight:
269.4528
MDL Number:
MFCD06659882
IUPAC Name:
[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C8H8BN5O3.ClH/c15-7(10-8-11-13-14-12-8)5-1-3-6(4-2-5)9(16)17;/h1-4,16-17H,(H2,10,11,12,13,14,15);1H
InChI Key:
AZODLVUFJXZNTC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1nnn[nH]1.Cl
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.049g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
269.452g/mol
Monoisotopic Mass:
269.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties