AB77113
885272-46-8 | 4-Bromo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB77113
ChemicalName
4-Bromo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
CasNumber
885272-46-8
MolecularFormula
C13H16BrNO2
MolecularWeight
298.1756
MdlNumber
MFCD08059277
Smiles
O=C(N1CCc2c1cccc2Br)OC(C)(C)C
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AB77113
ChemicalName: 4-Bromo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
CasNumber: 885272-46-8
MolecularFormula: C13H16BrNO2
MolecularWeight: 298.1756
MdlNumber: MFCD08059277
Smiles: O=C(N1CCc2c1cccc2Br)OC(C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AB77113
ChemicalName:
4-Bromo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
CasNumber:
885272-46-8
MolecularFormula:
C13H16BrNO2
MolecularWeight:
298.1756
MdlNumber:
MFCD08059277
Smiles:
O=C(N1CCc2c1cccc2Br)OC(C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AB77114
ChemicalName: Ethyl N-Boc-piperidine-4-carboxylate
CasNumber: 142851-03-4
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD01763998
Smiles: CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AB77114
ChemicalName:
Ethyl N-Boc-piperidine-4-carboxylate
CasNumber:
142851-03-4
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD01763998
Smiles:
CCOC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.8
CatalogNumber: AB77115
ChemicalName: N-Boc-4-chloro-3-fluoroaniline
CasNumber: 869299-68-3
MolecularFormula: C11H13ClFNO2
MolecularWeight: 245.6778
MdlNumber: MFCD21170108
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)F)Cl
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AB77115
ChemicalName:
N-Boc-4-chloro-3-fluoroaniline
CasNumber:
869299-68-3
MolecularFormula:
C11H13ClFNO2
MolecularWeight:
245.6778
MdlNumber:
MFCD21170108
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)F)Cl
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4
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Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C)I
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Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C)I
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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