Home Nitros 4-Methyl-2-nitrobenzoic acid

4-Methyl-2-nitrobenzoic acid

CAS No.:
27329-27-7
Catalog Number:
AG003LQ4
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$57
- +
10g
97%
In Stock USA
United States
$107
- +
25g
97%
In Stock USA
United States
$238
- +
100g
97%
In Stock USA
United States
$713
- +
Product Description
Catalog Number:
AG003LQ4
Chemical Name:
4-Methyl-2-nitrobenzoic acid
CAS Number:
27329-27-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00033899
IUPAC Name:
4-methyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
KZLLSSGOPIGKDO-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])C(=O)O
NSC Number:
80180
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:
2.6  
Properties