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1551432-13-3

1551432-13-3 | 1,2,4,5-Tetrazine, 3,6-bis(2,4-dimethyl-1H-pyrrol-1-yl)-

CAS No: 1551432-13-3 Catalog No: AG001NNB MDL No:

Product Description

Catalog Number:
AG001NNB
Chemical Name:
1,2,4,5-Tetrazine, 3,6-bis(2,4-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
1551432-13-3
Molecular Formula:
C14H16N6
Molecular Weight:
268.3170
IUPAC Name:
3,6-bis(2,4-dimethylpyrrol-1-yl)-1,2,4,5-tetrazine
InChI:
InChI=1S/C14H16N6/c1-9-5-11(3)19(7-9)13-15-17-14(18-16-13)20-8-10(2)6-12(20)4/h5-8H,1-4H3
InChI Key:
MCBFBEQRHJQQBF-UHFFFAOYSA-N
SMILES:
Cc1cc(cn1c1nnc(nn1)n1cc(cc1C)C)C

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.144g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.324g/mol
Monoisotopic Mass:
268.144g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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