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Home Nitros 2-Methyl-3-nitrobenzoic acid

2-Methyl-3-nitrobenzoic acid

CAS No.:
1975-50-4
Catalog Number:
AG002AUL
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG002AUL
Chemical Name:
2-Methyl-3-nitrobenzoic acid
CAS Number:
1975-50-4
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00007160
IUPAC Name:
2-methyl-3-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
YPQAFWHSMWWPLX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)[N+](=O)[O-]
EC Number:
217-826-4
UNII:
0SI17D349B
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:
1.6  
Literature
Title Journal
(Methanol-κO)(2-methyl-3-nitro-benzoato-κO)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20100901
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
[Determination of 2-methyl-3-nitrobenzoic acid through pretreatment with diazomethane by gas chromatography]. Se pu = Chinese journal of chromatography 20020901
Properties