AB50160
1041026-71-4 | 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate
Manufacturer: A2B Chem
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CatalogNumber
AB50160
ChemicalName
2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate
CasNumber
1041026-71-4
MolecularFormula
C22H38N4O8
MolecularWeight
486.5591199999998
MdlNumber
MFCD12404932
Smiles
O=C(N1CC2(C1)CNC2)OC(C)(C)C.O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Complexity
317
Covalently-bondedUnitCount
3
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
4
RotatableBondCount
5
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CatalogNumber: AB50160
ChemicalName: 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate
CasNumber: 1041026-71-4
MolecularFormula: C22H38N4O8
MolecularWeight: 486.5591199999998
MdlNumber: MFCD12404932
Smiles: O=C(N1CC2(C1)CNC2)OC(C)(C)C.O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Complexity: 317
Covalently-bondedUnitCount: 3
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 4
RotatableBondCount: 5
CatalogNumber:
AB50160
ChemicalName:
2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester hemioxylate
CasNumber:
1041026-71-4
MolecularFormula:
C22H38N4O8
MolecularWeight:
486.5591199999998
MdlNumber:
MFCD12404932
Smiles:
O=C(N1CC2(C1)CNC2)OC(C)(C)C.O=C(N1CC2(C1)CNC2)OC(C)(C)C.OC(=O)C(=O)O
Complexity:
317
Covalently-bondedUnitCount:
3
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
4
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB50162
ChemicalName: 2-Bromo-3-fluoro-5-methylpyridine
CasNumber: 34552-16-4
MolecularFormula: C6H5BrFN
MolecularWeight: 190.013
MdlNumber: MFCD09909840
Smiles: Cc1cnc(c(c1)F)Br
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB50162
ChemicalName:
2-Bromo-3-fluoro-5-methylpyridine
CasNumber:
34552-16-4
MolecularFormula:
C6H5BrFN
MolecularWeight:
190.013
MdlNumber:
MFCD09909840
Smiles:
Cc1cnc(c(c1)F)Br
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB50163
ChemicalName: 5-(Trifluoromethyl)-1H-indole-2,3-dione
CasNumber: 345-32-4
MolecularFormula: C9H4F3NO2
MolecularWeight: 215.1288
MdlNumber: MFCD01569510
Smiles: O=C1Nc2c(C1=O)cc(cc2)C(F)(F)F
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AB50163
ChemicalName:
5-(Trifluoromethyl)-1H-indole-2,3-dione
CasNumber:
345-32-4
MolecularFormula:
C9H4F3NO2
MolecularWeight:
215.1288
MdlNumber:
MFCD01569510
Smiles:
O=C1Nc2c(C1=O)cc(cc2)C(F)(F)F
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
__