Home Nitros 2-Methyl-5-nitrobenzoic acid

2-Methyl-5-nitrobenzoic acid

CAS No.:
1975-52-6
Catalog Number:
AG002AUJ
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
$14
- +
25g
98%
In Stock USA
United States
$33
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$244
- +
Product Description
Catalog Number:
AG002AUJ
Chemical Name:
2-Methyl-5-nitrobenzoic acid
CAS Number:
1975-52-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007371
IUPAC Name:
2-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
DJRFJAVPROZZFL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)C
EC Number:
217-829-0
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:
2.1  
Properties