AE25126
1111638-13-1 | tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE25126
ChemicalName
tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber
1111638-13-1
MolecularFormula
C12H15BrN2O2
MolecularWeight
299.1637
MdlNumber
MFCD24448794
Smiles
Brc1cnc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AE25126
ChemicalName: tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber: 1111638-13-1
MolecularFormula: C12H15BrN2O2
MolecularWeight: 299.1637
MdlNumber: MFCD24448794
Smiles: Brc1cnc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE25126
ChemicalName:
tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber:
1111638-13-1
MolecularFormula:
C12H15BrN2O2
MolecularWeight:
299.1637
MdlNumber:
MFCD24448794
Smiles:
Brc1cnc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 264
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
264
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AE25128
ChemicalName: 4-Nitro-N-propyl-2-(trifluoromethyl)aniline
CasNumber: 1184581-60-9
MolecularFormula: C10H11F3N2O2
MolecularWeight: 248.2017
MdlNumber: MFCD12876513
Smiles: CCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AE25128
ChemicalName:
4-Nitro-N-propyl-2-(trifluoromethyl)aniline
CasNumber:
1184581-60-9
MolecularFormula:
C10H11F3N2O2
MolecularWeight:
248.2017
MdlNumber:
MFCD12876513
Smiles:
CCCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C)c1ccc(nc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C)c1ccc(nc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__