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Home > Nitro Compounds > 163451-14-7
163451-14-7 | Cyanamide, [(3,5-dinitrophenyl)(3-nitrophenyl)methylene]- (9CI)
CAS No: 163451-14-7 Catalog No: AG001U45 MDL No:
Product Description
Catalog Number:
AG001U45
Chemical Name:
Cyanamide, [(3,5-dinitrophenyl)(3-nitrophenyl)methylene]- (9CI)
CAS Number:
163451-14-7
Molecular Formula:
C14H7N5O6
Molecular Weight:
341.2353
IUPAC Name:
[(3,5-dinitrophenyl)-(3-nitrophenyl)methylidene]cyanamide
InChI:
InChI=1S/C14H7N5O6/c15-8-16-14(9-2-1-3-11(4-9)17(20)21)10-5-12(18(22)23)7-13(6-10)19(24)25/h1-7H
InChI Key:
JYWMQVUIMQBAHQ-UHFFFAOYSA-N
SMILES:
N#CN=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.04g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.239g/mol
Monoisotopic Mass:
341.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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