AG79833
570-04-7 | 2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
Manufacturer: A2B Chem
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CatalogNumber
AG79833
ChemicalName
2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CasNumber
570-04-7
MolecularFormula
C13H12F3N
MolecularWeight
239.2363
MdlNumber
MFCD03228549
Smiles
Cc1ccc(n1c1cccc(c1)C(F)(F)F)C
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
4
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CatalogNumber: AG79833
ChemicalName: 2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CasNumber: 570-04-7
MolecularFormula: C13H12F3N
MolecularWeight: 239.2363
MdlNumber: MFCD03228549
Smiles: Cc1ccc(n1c1cccc(c1)C(F)(F)F)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AG79833
ChemicalName:
2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CasNumber:
570-04-7
MolecularFormula:
C13H12F3N
MolecularWeight:
239.2363
MdlNumber:
MFCD03228549
Smiles:
Cc1ccc(n1c1cccc(c1)C(F)(F)F)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: AG79834
ChemicalName: N-Boc-N-Methyl-3-bromoaniline
CasNumber: 57598-34-2
MolecularFormula: C12H16BrNO2
MolecularWeight: 286.1649
MdlNumber: MFCD14635681
Smiles: Brc1cccc(c1)N(C(=O)OC(C)(C)C)C
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AG79834
ChemicalName:
N-Boc-N-Methyl-3-bromoaniline
CasNumber:
57598-34-2
MolecularFormula:
C12H16BrNO2
MolecularWeight:
286.1649
MdlNumber:
MFCD14635681
Smiles:
Brc1cccc(c1)N(C(=O)OC(C)(C)C)C
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccc(cc1)N1CCOCC1)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccc(cc1)N1CCOCC1)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AG79836
ChemicalName: 3-(4-BOC-piperazino)-2-chloropyridine
CasNumber: 633283-64-4
MolecularFormula: C14H20ClN3O2
MolecularWeight: 297.7805
MdlNumber: MFCD12923073
Smiles: O=C(N1CCN(CC1)c1cccnc1Cl)OC(C)(C)C
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AG79836
ChemicalName:
3-(4-BOC-piperazino)-2-chloropyridine
CasNumber:
633283-64-4
MolecularFormula:
C14H20ClN3O2
MolecularWeight:
297.7805
MdlNumber:
MFCD12923073
Smiles:
O=C(N1CCN(CC1)c1cccnc1Cl)OC(C)(C)C
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.6