Home Nitros 2-Methyl-6-nitrobenzoic acid

2-Methyl-6-nitrobenzoic acid

CAS No.:
13506-76-8
Catalog Number:
AG003HO2
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$27
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003HO2
Chemical Name:
2-Methyl-6-nitrobenzoic acid
CAS Number:
13506-76-8
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007267
IUPAC Name:
2-methyl-6-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
CCXSGQZMYLXTOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(=O)O)C
EC Number:
236-833-3
UNII:
JM85Y56DX1
UN Number:
2811
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties