CCOC(=O)C1=C(C2=C(C1Br)C=C(C=C2)OC)C3=CC=CC=C3
الاسم: ethyl 1-bromo-6-methoxy-3-phenyl-1H-indene-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(C1Br)C=C(C=C2)OC)C3=CC=CC=C3

Molecular Processing

Molecular formula
C19H17BrO3
Molecular weight
373.25
Exact mass
372.0361
XLogP
4.51
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
93.76

Supplementary Information

InChIKey: HQROMOMWMLPTDN-UHFFFAOYSA-N
مرادفات
SCHEMBL3574864HQROMOMWMLPTDN-UHFFFAOYSA-N1-bromo-6-methoxy-3-phenyl-1H-indene-2-carboxylic acid ethyl ester
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