Home Halogens 1H-Tetrazole, 5-bromo-1-(phenylmethyl)-

1H-Tetrazole, 5-bromo-1-(phenylmethyl)-

CAS No.:
79344-08-4
Catalog Number:
AG0059DZ
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
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Product Description
Catalog Number:
AG0059DZ
Chemical Name:
1H-Tetrazole, 5-bromo-1-(phenylmethyl)-
CAS Number:
79344-08-4
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD16320620
IUPAC Name:
1-benzyl-5-bromotetrazole
InChI:
InChI=1S/C8H7BrN4/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
JEUFVIDEBOFLAA-UHFFFAOYSA-N
SMILES:
Brc1nnnn1Cc1ccccc1
Properties
Complexity:
160  
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:
0
Isotope Atom Count:
0
Molecular Weight:
239.076g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties