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Home Other Building Blocks 5-(4-Bromobenzyl)-2H-tetrazole

5-(4-Bromobenzyl)-2H-tetrazole

CAS No.:
127152-64-1
Catalog Number:
AG000WPE
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$177
- +
1g
95%
1 week
United States
$467
- +
5g
95%
1 week
United States
$1080
- +
Product Description
Catalog Number:
AG000WPE
Chemical Name:
5-(4-Bromobenzyl)-2H-tetrazole
CAS Number:
127152-64-1
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD03618476
IUPAC Name:
5-[(4-bromophenyl)methyl]-2H-tetrazole
InChI:
InChI=1S/C8H7BrN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChI Key:
WGIDQYGUQAPOOX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Cc1n[nH]nn1
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.076g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Cyclopentane-1,3-dione: a novel isostere for the carboxylic acid functional group. Application to the design of potent thromboxane (A2) receptor antagonists. Journal of medicinal chemistry 20111013
Properties