Home Nitros 1-(Chloromethyl)-3,5-dinitrobenzene

1-(Chloromethyl)-3,5-dinitrobenzene

CAS No.:
74367-78-5
Catalog Number:
AG0032J2
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
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Product Description
Catalog Number:
AG0032J2
Chemical Name:
1-(Chloromethyl)-3,5-dinitrobenzene
CAS Number:
74367-78-5
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD00007234
IUPAC Name:
1-(chloromethyl)-3,5-dinitrobenzene
InChI:
InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2
InChI Key:
SMJODKZAFKWUJG-UHFFFAOYSA-N
SMILES:
ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
277-841-7
Properties
Complexity:
215  
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:
1  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties