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Home Nitros 2-Methyl-5-nitrophenol

2-Methyl-5-nitrophenol

CAS No.:
5428-54-6
Catalog Number:
AG00I9P4
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG00I9P4
Chemical Name:
2-Methyl-5-nitrophenol
CAS Number:
5428-54-6
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00043909
IUPAC Name:
2-methyl-5-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3
InChI Key:
UMFDLIXUUJMPSI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)O)C
EC Number:
226-580-7
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds. Chemosphere 20100101
Pairwise-substitution effects and intramolecular hydrogen bonds in nitrophenols and methylnitrophenols. Thermochemical measurements and ab initio calculations. The journal of physical chemistry. A 20070719
Properties