AG33008
497159-91-8 | 2-(N,N-BisBOC-amino)-5-bromo-3-methylpyridine
Manufacturer: A2B Chem
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CatalogNumber
AG33008
ChemicalName
2-(N,N-BisBOC-amino)-5-bromo-3-methylpyridine
CasNumber
497159-91-8
MolecularFormula
C16H23BrN2O4
MolecularWeight
387.2688
MdlNumber
MFCD11111840
Smiles
Brc1cnc(c(c1)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AG33008
ChemicalName: 2-(N,N-BisBOC-amino)-5-bromo-3-methylpyridine
CasNumber: 497159-91-8
MolecularFormula: C16H23BrN2O4
MolecularWeight: 387.2688
MdlNumber: MFCD11111840
Smiles: Brc1cnc(c(c1)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AG33008
ChemicalName:
2-(N,N-BisBOC-amino)-5-bromo-3-methylpyridine
CasNumber:
497159-91-8
MolecularFormula:
C16H23BrN2O4
MolecularWeight:
387.2688
MdlNumber:
MFCD11111840
Smiles:
Brc1cnc(c(c1)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG33010
ChemicalName: 1,4-Bis(3-nitropyridin-2-yl)piperazine
CasNumber: 5086-48-6
MolecularFormula: C14H14N6O4
MolecularWeight: 330.2988
MdlNumber: MFCD02571723
Smiles: [O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccc1[N+](=O)[O-]
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AG33010
ChemicalName:
1,4-Bis(3-nitropyridin-2-yl)piperazine
CasNumber:
5086-48-6
MolecularFormula:
C14H14N6O4
MolecularWeight:
330.2988
MdlNumber:
MFCD02571723
Smiles:
[O-][N+](=O)c1cccnc1N1CCN(CC1)c1ncccc1[N+](=O)[O-]
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AG33011
ChemicalName: 6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CasNumber: 55687-31-5
MolecularFormula: C9H5F3N2O2
MolecularWeight: 230.1434
MdlNumber: MFCD00869382
Smiles: O=c1[nH]c2ccc(cc2[nH]c1=O)C(F)(F)F
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AG33011
ChemicalName:
6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CasNumber:
55687-31-5
MolecularFormula:
C9H5F3N2O2
MolecularWeight:
230.1434
MdlNumber:
MFCD00869382
Smiles:
O=c1[nH]c2ccc(cc2[nH]c1=O)C(F)(F)F
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
__
Xlogp3:
1.1