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Home > Nitro Compounds > 29418-63-1
29418-63-1 | o,o'-Azotoluene, 4,4'-dinitro- (8CI)
CAS No: 29418-63-1 Catalog No: AG002YB8 MDL No:
Product Description
Catalog Number:
AG002YB8
Chemical Name:
o,o'-Azotoluene, 4,4'-dinitro- (8CI)
CAS Number:
29418-63-1
Molecular Formula:
C14H12N4O4
Molecular Weight:
300.2695
IUPAC Name:
bis(2-methyl-4-nitrophenyl)diazene
InChI:
InChI=1S/C14H12N4O4/c1-9-7-11(17(19)20)3-5-13(9)15-16-14-6-4-12(18(21)22)8-10(14)2/h3-8H,1-2H3
InChI Key:
MWNAFHNOHYBEBV-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1/N=N/c1ccc(cc1C)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
86487
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.274g/mol
Monoisotopic Mass:
300.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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