AI51320
503469-83-8 | Thiophene-2,5-dicarboxylic acid mono tert butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI51320
ChemicalName
Thiophene-2,5-dicarboxylic acid mono tert butyl ester
CasNumber
503469-83-8
MolecularFormula
C10H12O4S
MolecularWeight
228.2649
MdlNumber
MFCD10688273
Smiles
O=C(c1ccc(s1)C(=O)O)OC(C)(C)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AI51320
ChemicalName: Thiophene-2,5-dicarboxylic acid mono tert butyl ester
CasNumber: 503469-83-8
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD10688273
Smiles: O=C(c1ccc(s1)C(=O)O)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AI51320
ChemicalName:
Thiophene-2,5-dicarboxylic acid mono tert butyl ester
CasNumber:
503469-83-8
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD10688273
Smiles:
O=C(c1ccc(s1)C(=O)O)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.6
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Smiles: Nc1cccc(c1)c1ccc(cc1)N(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cccc(c1)c1ccc(cc1)N(C)C
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RotatableBondCount:
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Smiles: Nc1ccc(cn1)c1cccc(c1)N
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Smiles:
Nc1ccc(cn1)c1cccc(c1)N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1ccc(cc1)c1ccc(nc1)N
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(cc1)c1ccc(nc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__