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290353-56-9 | Benzene, 1-chloro-2-methyl-3,4-dinitro-
CAS No: 290353-56-9 Catalog No: AG002VAL MDL No:MFCD00033915
Product Description
Catalog Number:
AG002VAL
Chemical Name:
Benzene, 1-chloro-2-methyl-3,4-dinitro-
CAS Number:
290353-56-9
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD00033915
IUPAC Name:
1-chloro-2-methyl-3,4-dinitrobenzene
InChI:
InChI=1S/C7H5ClN2O4/c1-4-5(8)2-3-6(9(11)12)7(4)10(13)14/h2-3H,1H3
InChI Key:
VYTLFULGOMUAMK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1C)Cl)[N+](=O)[O-]
Properties
Complexity:
249
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:
2.6
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