Home Other Building Blocks 4-CHLORO-3,5-DINITROTOLUENE

4-CHLORO-3,5-DINITROTOLUENE

CAS No.:
5264-65-3
Catalog Number:
AG00DD45
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
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Product Description
Catalog Number:
AG00DD45
Chemical Name:
4-CHLORO-3,5-DINITROTOLUENE
CAS Number:
5264-65-3
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD00060535
IUPAC Name:
2-chloro-5-methyl-1,3-dinitrobenzene
InChI:
InChI=1S/C7H5ClN2O4/c1-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3
InChI Key:
JMDVARRGYWIJGZ-UHFFFAOYSA-N
SMILES:
Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl
EC Number:
226-080-9
NSC Number:
105591
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.994g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.577g/mol
Monoisotopic Mass:
215.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties