Home Halogens alpha,2-dichloro-4-nitrotoluene

alpha,2-dichloro-4-nitrotoluene

CAS No.:
50274-95-8
Catalog Number:
AG00DMSU
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
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Product Description
Catalog Number:
AG00DMSU
Chemical Name:
alpha,2-dichloro-4-nitrotoluene
CAS Number:
50274-95-8
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD12025222
IUPAC Name:
2-chloro-1-(chloromethyl)-4-nitrobenzene
InChI:
InChI=1S/C7H5Cl2NO2/c8-4-5-1-2-6(10(11)12)3-7(5)9/h1-3H,4H2
InChI Key:
OFZJESMXFWZEAW-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1Cl)[N+](=O)[O-]
EC Number:
256-517-9
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties