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177537-18-7 | Benzene, 2,5-bis(chloromethyl)-1,3-dinitro-
CAS No: 177537-18-7 Catalog No: AG0025D4 MDL No:
Product Description
Catalog Number:
AG0025D4
Chemical Name:
Benzene, 2,5-bis(chloromethyl)-1,3-dinitro-
CAS Number:
177537-18-7
Molecular Formula:
C8H6Cl2N2O4
Molecular Weight:
265.0502
IUPAC Name:
2,5-bis(chloromethyl)-1,3-dinitrobenzene
InChI:
InChI=1S/C8H6Cl2N2O4/c9-3-5-1-7(11(13)14)6(4-10)8(2-5)12(15)16/h1-2H,3-4H2
InChI Key:
UGYQECCNWCGABC-UHFFFAOYSA-N
SMILES:
ClCc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])CCl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.97g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.046g/mol
Monoisotopic Mass:
263.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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