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Home Other Building Blocks 2H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-

2H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-

CAS No.:
175205-09-1
Catalog Number:
AG0020NE
Molecular Formula:
C9H4F6N4
Molecular Weight:
282.1453
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Product Description
Catalog Number:
AG0020NE
Chemical Name:
2H-Tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
175205-09-1
Molecular Formula:
C9H4F6N4
Molecular Weight:
282.1453
MDL Number:
MFCD06246015
IUPAC Name:
5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
InChI:
InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChI Key:
KKJFZIQEWZVVIV-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)c1n[nH]nn1)C(F)(F)F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.034g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.149g/mol
Monoisotopic Mass:
282.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis of branched oligonucleotides with three different sequences using an oxidatively removable tritylthio group. The Journal of organic chemistry 20071026
Properties