Home Halogens 1H-Tetrazole, 5-bromo-1-phenyl-

1H-Tetrazole, 5-bromo-1-phenyl-

CAS No.:
18233-34-6
Catalog Number:
AG0023NP
Molecular Formula:
C7H5BrN4
Molecular Weight:
225.0454
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Product Description
Catalog Number:
AG0023NP
Chemical Name:
1H-Tetrazole, 5-bromo-1-phenyl-
CAS Number:
18233-34-6
Molecular Formula:
C7H5BrN4
Molecular Weight:
225.0454
MDL Number:
MFCD00087236
IUPAC Name:
5-bromo-1-phenyltetrazole
InChI:
InChI=1S/C7H5BrN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChI Key:
OKBYPPLWGIVLOC-UHFFFAOYSA-N
SMILES:
Brc1nnnn1c1ccccc1
NSC Number:
158366
Properties
Complexity:
148  
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:
0
Isotope Atom Count:
0
Molecular Weight:
225.049g/mol
Monoisotopic Mass:
223.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties