CC(C)C1=CC(=NNC1=O)CC2=C(C=C(C=C2Br)CCl)Br
CAS: 920509-63-3
الاسم: 3-[[2,6-dibromo-4-(chloromethyl)phenyl]methyl]-5-propan-2-yl-1H-pyridazin-6-one
SMILES: CC(C)C1=CC(=NNC1=O)CC2=C(C=C(C=C2Br)CCl)Br

Molecular Processing

Molecular formula
C15H15Br2ClN2O
Molecular weight
434.56
Exact mass
431.924
XLogP
4.75
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
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
0.333
Molar refractivity
93.15

Supplementary Information

InChIKey: TUCNZYCTJLPRSS-UHFFFAOYSA-N
مرادفات
SCHEMBL2928883TUCNZYCTJLPRSS-UHFFFAOYSA-NDB-2072306-(2,6-Dibromo-4-chloromethyl-benzyl)-4-isopropyl-pyridazin-3-one6-(2,6-Dibromo-4-(chloromethyl)benzyl)-4-isopropylpyridazin-3(2h)-one920509-63-3
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