AA54470
1218789-31-1 | 2-(3-Methoxypropylamino)pyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54470
ChemicalName
2-(3-Methoxypropylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber
1218789-31-1
MolecularFormula
C14H24BN3O3
MolecularWeight
293.1697
MdlNumber
MFCD12546560
Smiles
COCCCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AA54470
ChemicalName: 2-(3-Methoxypropylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218789-31-1
MolecularFormula: C14H24BN3O3
MolecularWeight: 293.1697
MdlNumber: MFCD12546560
Smiles: COCCCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AA54470
ChemicalName:
2-(3-Methoxypropylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218789-31-1
MolecularFormula:
C14H24BN3O3
MolecularWeight:
293.1697
MdlNumber:
MFCD12546560
Smiles:
COCCCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: AA54471
ChemicalName: 2-Benzylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218789-30-0
MolecularFormula: C17H22BN3O2
MolecularWeight: 311.1865
MdlNumber: MFCD11878347
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccccc1
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AA54471
ChemicalName:
2-Benzylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218789-30-0
MolecularFormula:
C17H22BN3O2
MolecularWeight:
311.1865
MdlNumber:
MFCD11878347
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccccc1
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
Complexity: 701
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
Complexity:
701
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA54473
ChemicalName: 2-Bromo-3-fluoro-6-nitroaniline
CasNumber: 1218764-80-7
MolecularFormula: C6H4BrFN2O2
MolecularWeight: 235.0106
MdlNumber: MFCD18071077
Smiles: [O-][N+](=O)c1ccc(c(c1N)Br)F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AA54473
ChemicalName:
2-Bromo-3-fluoro-6-nitroaniline
CasNumber:
1218764-80-7
MolecularFormula:
C6H4BrFN2O2
MolecularWeight:
235.0106
MdlNumber:
MFCD18071077
Smiles:
[O-][N+](=O)c1ccc(c(c1N)Br)F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__