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50907-23-8 | 5-(4-Bromophenyl)-1H-tetrazole
CAS No: 50907-23-8 Catalog No: AG003M53 MDL No:MFCD00991874
Product Description
Catalog Number:
AG003M53
Chemical Name:
5-(4-Bromophenyl)-1H-tetrazole
CAS Number:
50907-23-8
Molecular Formula:
C7H5BrN4
Molecular Weight:
225.0454
MDL Number:
MFCD00991874
IUPAC Name:
5-(4-bromophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key:
YMZMDMWMKVPGDP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnn[nH]1
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.049g/mol
Monoisotopic Mass:
223.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship and enzyme kinetic studies on 4-aryl-1H-1,2,3-triazoles as indoleamine 2,3-dioxygenase (IDO) inhibitors. | European journal of medicinal chemistry 20111101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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