CCOC(=O)C(=CC1=CC=C(C=C1)Br)C#N
الاسم: ethyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
SMILES: CCOC(=O)C(=CC1=CC=C(C=C1)Br)C#N

Molecular Processing

Molecular formula
C12H10BrNO2
Molecular weight
280.12
Exact mass
278.9895
XLogP
2.92
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
64.37

Supplementary Information

InChIKey: MJGTUYOCBQBORS-UHFFFAOYSA-N
مرادفات
3-(4-Bromo-phenyl)-2-cyano-acrylic acid ethyl esterethyl 3-(4-bromophenyl)-2-cyanoprop-2-enoateSCHEMBL363339MJGTUYOCBQBORS-UHFFFAOYSA-NAKOS017082584DB-365491ethyl 3-(4-bromophenyl)-2-cyano-prop-2-enoate
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