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Home Other Building Blocks 5-(phenoxymethyl)-2H-1,2,3,4-tetrazole

5-(phenoxymethyl)-2H-1,2,3,4-tetrazole

CAS No.:
24896-23-9
Catalog Number:
AG01E94L
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
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Product Description
Catalog Number:
AG01E94L
Chemical Name:
5-(phenoxymethyl)-2H-1,2,3,4-tetrazole
CAS Number:
24896-23-9
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD07345675
IUPAC Name:
5-(phenoxymethyl)-2H-tetrazole
InChI:
InChI=1S/C8H8N4O/c1-2-4-7(5-3-1)13-6-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChI Key:
OKACIACGQZSZRA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCc1n[nH]nn1
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Targeting the p53-MDM2 interaction to treat cancer. British journal of cancer 20041018
Properties