C1=CC(=CC(=C1)Br)C2=NNN=N2
CAS: 3440-99-1
Nombre: 5-(3-bromophenyl)-2H-tetrazole
SMILES: C1=CC(=CC(=C1)Br)C2=NNN=N2

Molecular Processing

Molecular formula
C7H5BrN4
Molecular weight
225.05
Exact mass
223.9698
XLogP
1.63
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.31

Supplementary Information

InChIKey: UVKPUDRFBHSFJH-UHFFFAOYSA-N
Sinónimos
5-(3-bromophenyl)-2H-tetrazole5-(3-bromophenyl)-1H-1,2,3,4-tetrazoleRefChem:529779608-985-45-(3-Bromophenyl)-1H-tetrazole3440-99-15-(3-BROMO-PHENYL)-2H-TETRAZOLEMFCD010756751H-Tetrazole, 5-(3-bromophenyl)-5-(3-bromophenyl)tetrazole5-(3-bromophenyl)-tetrazoleSCHEMBL577441SCHEMBL702625CHEMBL488593SCHEMBL4258013SCHEMBL12479843DTXSID403990415-(3-bromophenyl)-1H-tetraazole5-(3-Bromo-phenyl)-1H-tetrazole5-(3-BROMOPHENYL) TETRAZOLEAKOS009158921AB28587CCG-129439FB51575AS-49420SY012306DB-005362CS-0309229ST504087815-(3-bromophenyl)-1H-1,2,3,4-tetraazole
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