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127152-64-1 | 2H-Tetrazole, 5-[(4-bromophenyl)methyl]-
CAS No: 127152-64-1 Catalog No: AG000WPE MDL No:MFCD03618476
Product Description
Catalog Number:
AG000WPE
Chemical Name:
2H-Tetrazole, 5-[(4-bromophenyl)methyl]-
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 |
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