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Home > Nitro Compounds > 23621-60-5
23621-60-5 | 1,1'-Biphenyl, 4'-methyl-2,6-dinitro-
CAS No: 23621-60-5 Catalog No: AG002NXW MDL No:
Product Description
Catalog Number:
AG002NXW
Chemical Name:
1,1'-Biphenyl, 4'-methyl-2,6-dinitro-
CAS Number:
23621-60-5
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
2-(4-methylphenyl)-1,3-dinitrobenzene
InChI:
InChI=1S/C13H10N2O4/c1-9-5-7-10(8-6-9)13-11(14(16)17)3-2-4-12(13)15(18)19/h2-8H,1H3
InChI Key:
UKNFKMQHTFOMOY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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