O=C(Cl)c1nnnn1Cc1ccccc1
Name: 1-benzyl-1H-tetrazole5-carbonyl chloride
SMILES: O=C(Cl)c1nnnn1Cc1ccccc1

Molecular Processing

Molecular formula
C9H7ClN4O
Molecular weight
222.64
Exact mass
222.0308
XLogP
1.1
TPSA
60.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
53.54

Supplementary Information

Details werden geladen…

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