Home Boronic acids 2-Methyl-5-nitrophenylboronic acid

2-Methyl-5-nitrophenylboronic acid

CAS No.:
100960-11-0
Catalog Number:
AG0003BM
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$2250
- +
Product Description
Catalog Number:
AG0003BM
Chemical Name:
2-Methyl-5-nitrophenylboronic acid
CAS Number:
100960-11-0
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD00757435
IUPAC Name:
(2-methyl-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H8BNO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,10-11H,1H3
InChI Key:
HRJFQIRIDFXMNX-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)[N+](=O)[O-])O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties