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130104-32-4

130104-32-4 | 1H-Imidazole, 1-(2,4-dichloro-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-, nitrate (1:1)

CAS No: 130104-32-4 Catalog No: AG000U0L MDL No:

Product Description

Catalog Number:
AG000U0L
Chemical Name:
1H-Imidazole, 1-(2,4-dichloro-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-, nitrate (1:1)
CAS Number:
130104-32-4
Molecular Formula:
C18H15Cl2N3O3
Molecular Weight:
392.2360
IUPAC Name:
1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric acid
InChI:
InChI=1S/C18H14Cl2N2.HNO3/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22;2-1(3)4/h1-4,7-11,18H,5-6H2;(H,2,3,4)
InChI Key:
DPHMSVRBAXJSPF-UHFFFAOYSA-N
SMILES:
Clc1cc2CCc3c(C(c2c(c1)Cl)n1cncc1)cccc3.[O-][N+](=O)O

Properties

Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.049g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
392.236g/mol
Monoisotopic Mass:
391.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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