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Home > Nitro Compounds > 1178816-03-9
1178816-03-9 | 1-(2,4-dinitrophenyl)-1,4-diazepane
CAS No: 1178816-03-9 Catalog No: AG00JVEE MDL No:
Product Description
Catalog Number:
AG00JVEE
Chemical Name:
1-(2,4-dinitrophenyl)-1,4-diazepane
CAS Number:
1178816-03-9
Molecular Formula:
C11H14N4O4
Molecular Weight:
266.2533
IUPAC Name:
1-(2,4-dinitrophenyl)-1,4-diazepane
InChI:
InChI=1S/C11H14N4O4/c16-14(17)9-2-3-10(11(8-9)15(18)19)13-6-1-4-12-5-7-13/h2-3,8,12H,1,4-7H2
InChI Key:
HBQGMUQPONACFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCNCCC1)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.257g/mol
Monoisotopic Mass:
266.102g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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