Home Nitros 1-Chloro-2,5-dimethyl-3-nitrobenzene

1-Chloro-2,5-dimethyl-3-nitrobenzene

CAS No.:
13711-22-3
Catalog Number:
AG009AFZ
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG009AFZ
Chemical Name:
1-Chloro-2,5-dimethyl-3-nitrobenzene
CAS Number:
13711-22-3
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD08062506
IUPAC Name:
1-chloro-2,5-dimethyl-3-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c1-5-3-7(9)6(2)8(4-5)10(11)12/h3-4H,1-2H3
InChI Key:
ICVFACWRHDRTIM-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties