AH81788
91348-45-7 | 3-Bromoindole-2-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH81788
ChemicalName
3-Bromoindole-2-carboxylic acid ethyl ester
CasNumber
91348-45-7
MolecularFormula
C11H10BrNO2
MolecularWeight
268.1066
MdlNumber
MFCD02071793
Smiles
CCOC(=O)c1[nH]c2c(c1Br)cccc2
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AH81788
ChemicalName: 3-Bromoindole-2-carboxylic acid ethyl ester
CasNumber: 91348-45-7
MolecularFormula: C11H10BrNO2
MolecularWeight: 268.1066
MdlNumber: MFCD02071793
Smiles: CCOC(=O)c1[nH]c2c(c1Br)cccc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AH81788
ChemicalName:
3-Bromoindole-2-carboxylic acid ethyl ester
CasNumber:
91348-45-7
MolecularFormula:
C11H10BrNO2
MolecularWeight:
268.1066
MdlNumber:
MFCD02071793
Smiles:
CCOC(=O)c1[nH]c2c(c1Br)cccc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
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Smiles: CC(=O)OC1CCCCC1C(C)(C)C
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CC(=O)OC1CCCCC1C(C)(C)C
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Smiles: CCCCCCCCCCCC(OC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CCCCCCCCCCC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
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Smiles:
CCCCCCCCCCCC(OC(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CCCCCCCCCCC)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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