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Home Nitros 3-Methyl-2-nitrophenol

3-Methyl-2-nitrophenol

CAS No.:
4920-77-8
Catalog Number:
AG00I8U7
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$40
- +
100g
98%
In Stock USA
United States
$125
- +
500g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00I8U7
Chemical Name:
3-Methyl-2-nitrophenol
CAS Number:
4920-77-8
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD00007125
IUPAC Name:
3-methyl-2-nitrophenol
InChI:
InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3
InChI Key:
QIORDSKCCHRSSD-UHFFFAOYSA-N
SMILES:
O=N(=O)c1c(C)cccc1O
EC Number:
225-546-9
UNII:
I4QBB2L3C0
NSC Number:
41206
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:
2.3  
Literature
Title Journal
Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120201
Pesticide by-products in the Rhône delta (Southern France). The case of 4-chloro-2-methylphenol and of its nitroderivative. Chemosphere 20090101
Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols. Physical chemistry chemical physics : PCCP 20071114
Properties