COC=C1C2=C(C=CC(=C2)Br)C(=O)NC1=O
CAS: 943542-34-5
الاسم: 6-bromo-4-(methoxymethylidene)isoquinoline-1,3-dione
SMILES: COC=C1C2=C(C=CC(=C2)Br)C(=O)NC1=O

Molecular Processing

Molecular formula
C11H8BrNO3
Molecular weight
282.09
Exact mass
280.9688
XLogP
1.71
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
61.6

Supplementary Information

InChIKey: JLUSEFTXCXLYEC-UHFFFAOYSA-N
مرادفات
SCHEMBL3563335JLUSEFTXCXLYEC-UHFFFAOYSA-N943542-34-5DB-1697464-methoxymethylene-6-bromo-4H-isoquinoline-1,3-dione6-Bromo-4-methoxymethylene-4H-isoquinoline-1,3-dione6-Bromo-4-(methoxymethylene)isoquinoline-1,3(2h,4h)-dione6-bromo-4-(methoxymethylene)-isoquinoline-1,3(2H,4H)-dione
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