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113659-62-4 | Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-
CAS No: 113659-62-4 Catalog No: AG000996 MDL No:
Product Description
Catalog Number:
AG000996
Chemical Name:
Benzenamine, N-(1,3-benzodioxol-5-ylmethylene)-4-nitro-
CAS Number:
113659-62-4
Molecular Formula:
C14H10N2O4
Molecular Weight:
270.2402
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)methanimine
InChI:
InChI=1S/C14H10N2O4/c17-16(18)12-4-2-11(3-5-12)15-8-10-1-6-13-14(7-10)20-9-19-13/h1-8H,9H2
InChI Key:
VOMKKZGQKCDFIH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=Cc1ccc2c(c1)OCO2
NSC Number:
151212
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.244g/mol
Monoisotopic Mass:
270.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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