AB36679
29182-42-1 | 2-(2-Benzothiazolyl)acetic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB36679
ChemicalName
2-(2-Benzothiazolyl)acetic acid ethyl ester
CasNumber
29182-42-1
MolecularFormula
C11H11NO2S
MolecularWeight
221.2755
MdlNumber
MFCD00546397
Smiles
CCOC(=O)Cc1nc2c(s1)cccc2
NscNumber
621357
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AB36679
ChemicalName: 2-(2-Benzothiazolyl)acetic acid ethyl ester
CasNumber: 29182-42-1
MolecularFormula: C11H11NO2S
MolecularWeight: 221.2755
MdlNumber: MFCD00546397
Smiles: CCOC(=O)Cc1nc2c(s1)cccc2
NscNumber: 621357
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB36679
ChemicalName:
2-(2-Benzothiazolyl)acetic acid ethyl ester
CasNumber:
29182-42-1
MolecularFormula:
C11H11NO2S
MolecularWeight:
221.2755
MdlNumber:
MFCD00546397
Smiles:
CCOC(=O)Cc1nc2c(s1)cccc2
NscNumber:
621357
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.6
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Smiles: Cc1ccc2c(c1)ccc(c2)S(=O)(=O)O
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc2c(c1)ccc(c2)S(=O)(=O)O
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Smiles: N#Cc1ccnc(c1)C#N
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N#Cc1ccnc(c1)C#N
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: C=CCOc1ccccc1OC[C@H](CNC(C)C)O.Cl
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
C=CCOc1ccccc1OC[C@H](CNC(C)C)O.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__