AD48655
348640-12-0 | 3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD48655
ChemicalName
3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
CasNumber
348640-12-0
MolecularFormula
C14H13BrN2O2
MolecularWeight
321.1692
MdlNumber
MFCD05864766
Smiles
N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.7
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CatalogNumber: AD48655
ChemicalName: 3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
CasNumber: 348640-12-0
MolecularFormula: C14H13BrN2O2
MolecularWeight: 321.1692
MdlNumber: MFCD05864766
Smiles: N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AD48655
ChemicalName:
3-Bromo-5-cyanoindole-1-carboxylic acid tert-butyl ester
CasNumber:
348640-12-0
MolecularFormula:
C14H13BrN2O2
MolecularWeight:
321.1692
MdlNumber:
MFCD05864766
Smiles:
N#Cc1ccc2c(c1)c(Br)cn2C(=O)OC(C)(C)C
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nccc2Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nccc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AD48657
ChemicalName: 4-Chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
CasNumber: 348640-05-1
MolecularFormula: C14H11ClN2O2S
MolecularWeight: 306.7673
MdlNumber: MFCD09260851
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nccc2Cl
Complexity: 443
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AD48657
ChemicalName:
4-Chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
CasNumber:
348640-05-1
MolecularFormula:
C14H11ClN2O2S
MolecularWeight:
306.7673
MdlNumber:
MFCD09260851
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1nccc2Cl
Complexity:
443
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][Cl](=O)(=O)=O.CN1c2ccc3c(c2C(C1=CC=C1CCC(=C1c1ccccc1)/C=C/C1=[N+](C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][Cl](=O)(=O)=O.CN1c2ccc3c(c2C(C1=CC=C1CCC(=C1c1ccccc1)/C=C/C1=[N+](C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__