CCOC(=O)CC1=NC2=C(S1)C=C(C=C2)Br
CAS: 791614-78-3
الاسم: ethyl 2-(6-bromo-1,3-benzothiazol-2-yl)acetate
SMILES: CCOC(=O)CC1=NC2=C(S1)C=C(C=C2)Br

Molecular Processing

Molecular formula
C11H10BrNO2S
Molecular weight
300.18
Exact mass
298.9616
XLogP
3.16
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
67.66

Supplementary Information

InChIKey: NRVKXPLEMJKYKS-UHFFFAOYSA-N
مرادفات
791614-78-3DTXSID001291676Ethyl 6-bromo-2-benzothiazoleacetateETHYL 2-(6-BROMO-1,3-BENZOTHIAZOL-2-YL)ACETATERefChem:595913DTXCID601722263863-812-1ETHYL 2-(6-BROMOBENZO[D]THIAZOL-2-YL)ACETATEstarbld0000389SCHEMBL489108NRVKXPLEMJKYKS-UHFFFAOYSA-NAKOS017556628AB55371AT43916DB-171062EN300-398878Ethyl (6-bromo-1,3-benzothiazol-2-yl)acetate6-bromo-benzothiazol-2-yl-acetic acid ethyl ester(6-bromo-benzothiazol-2-yl)-acetic acid ethyl ester6-BROMO-2-BENZOTHIAZOLEACETIC ACID ETHYL ESTER
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