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56108-04-4 | 3-(4-iodophenyl)-6-methyl-1,2,4,5-tetrazine
CAS No: 56108-04-4 Catalog No: AG01ELB4 MDL No:
Product Description
Catalog Number:
AG01ELB4
Chemical Name:
3-(4-iodophenyl)-6-methyl-1,2,4,5-tetrazine
CAS Number:
56108-04-4
Molecular Formula:
C9H7IN4
Molecular Weight:
298.0831
IUPAC Name:
3-(4-iodophenyl)-6-methyl-1,2,4,5-tetrazine
InChI:
InChI=1S/C9H7IN4/c1-6-11-13-9(14-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChI Key:
FKAZOECVVBJPEX-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1nnc(nn1)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.972g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.087g/mol
Monoisotopic Mass:
297.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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