AB49595
571189-16-7 | tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB49595
ChemicalName
tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
CasNumber
571189-16-7
MolecularFormula
C14H20N4O4
MolecularWeight
308.333
MdlNumber
MFCD11849291
Smiles
O=C(N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-])OC(C)(C)C
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AB49595
ChemicalName: tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
CasNumber: 571189-16-7
MolecularFormula: C14H20N4O4
MolecularWeight: 308.333
MdlNumber: MFCD11849291
Smiles: O=C(N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB49595
ChemicalName:
tert-Butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
CasNumber:
571189-16-7
MolecularFormula:
C14H20N4O4
MolecularWeight:
308.333
MdlNumber:
MFCD11849291
Smiles:
O=C(N1CCN(CC1)c1ccc(nc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc2c(cc1Cl)oc1c2c(Cl)c(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc2c(cc1Cl)oc1c2c(Cl)c(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49597
ChemicalName: 3,4,5-Trifluorobenzyl bromide
CasNumber: 220141-72-0
MolecularFormula: C7H4BrF3
MolecularWeight: 225.0059
MdlNumber: MFCD00083528
Smiles: BrCc1cc(F)c(c(c1)F)F
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB49597
ChemicalName:
3,4,5-Trifluorobenzyl bromide
CasNumber:
220141-72-0
MolecularFormula:
C7H4BrF3
MolecularWeight:
225.0059
MdlNumber:
MFCD00083528
Smiles:
BrCc1cc(F)c(c(c1)F)F
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: AB49598
ChemicalName: H-Nva-OMe HCl
CasNumber: 56558-30-6
MolecularFormula: C6H14ClNO2
MolecularWeight: 167.6339
MdlNumber: MFCD00190974
Smiles: CCC[C@@H](C(=O)OC)N.Cl
Complexity: 93.1
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB49598
ChemicalName:
H-Nva-OMe HCl
CasNumber:
56558-30-6
MolecularFormula:
C6H14ClNO2
MolecularWeight:
167.6339
MdlNumber:
MFCD00190974
Smiles:
CCC[C@@H](C(=O)OC)N.Cl
Complexity:
93.1
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
__