Home Other Building Blocks 4-Nitrotoluene

4-Nitrotoluene

CAS No.:
99-99-0
Catalog Number:
AG003696
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$33
- +
25g
95%
In Stock USA
United States
$47
- +
100g
95%
In Stock USA
United States
$87
- +
Product Description
Catalog Number:
AG003696
Chemical Name:
4-Nitrotoluene
CAS Number:
99-99-0
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00007366
IUPAC Name:
1-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChI Key:
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-808-0
UNII:
E88IMG14EX
NSC Number:
9579
RTECS Number:
XT3325000
UN Number:
1664
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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Properties