Home Nitros 1-Methyl-4-(3-nitrophenyl)benzene

1-Methyl-4-(3-nitrophenyl)benzene

CAS No.:
53812-68-3
Catalog Number:
AG00DB15
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00DB15
Chemical Name:
1-Methyl-4-(3-nitrophenyl)benzene
CAS Number:
53812-68-3
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD02246594
IUPAC Name:
1-(4-methylphenyl)-3-nitrobenzene
InChI:
InChI=1S/C13H11NO2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3
InChI Key:
VXPLSDQTIWIHJH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties