Home Halogens 1-(4-bromophenyl)-5-methyl-1H-1,2,3,4-tetrazole

1-(4-bromophenyl)-5-methyl-1H-1,2,3,4-tetrazole

CAS No.:
98437-33-3
Catalog Number:
AG019XXM
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
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Product Description
Catalog Number:
AG019XXM
Chemical Name:
1-(4-bromophenyl)-5-methyl-1H-1,2,3,4-tetrazole
CAS Number:
98437-33-3
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD07809310
IUPAC Name:
1-(4-bromophenyl)-5-methyltetrazole
InChI:
InChI=1S/C8H7BrN4/c1-6-10-11-12-13(6)8-4-2-7(9)3-5-8/h2-5H,1H3
InChI Key:
ZFUIYWIAFBEXLY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nnnc1C
Properties
Complexity:
170  
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:
1  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties