CAS: 360576-01-8
الاسم: methyl 6-bromo-1-benzothiophene-2-carboxylate
SMILES:
COC(=O)C1=CC2=C(S1)C=C(C=C2)BrMolecular Processing
Molecular formula
C10H7BrO2S
Molecular weight
271.13
Exact mass
269.935
XLogP
3.45
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
60.86
Supplementary Information
InChIKey: SFDVDNLBYGHFNF-UHFFFAOYSA-N
مرادفات
6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester6-Bromo-benzo(b)thiophene-2-carboxylic acid methyl esterRefChem:541192692-362-7360576-01-8Methyl 6-bromobenzo[b]thiophene-2-carboxylateMethyl 6-bromo-1-benzothiophene-2-carboxylateMFCD073715416-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTER6-bromobenzothiophene-2-carboxylic acid methyl estermethyl 6-bromobenzothiophene-2-carboxylatemethyl6-bromobenzo[b]thiophene-2-carboxylateSCHEMBL497904SCHEMBL29445391DTXSID50625904SFDVDNLBYGHFNF-UHFFFAOYSA-NCS1251AKOS005073408LA-0701SB36821AC-31801BP-20473SY104145DB-069302CS-0041254Methyl6-bromo-1-benzothiophene-2-carboxylateF0753666-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester;Methyl 6-Bromobenzothiophene-2-carboxylate;
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