AA54471
1218789-30-0 | 2-Benzylaminopyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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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
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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:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C)ccc1CCCc1ccc(cc1O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C)ccc1CCCc1ccc(cc1O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__