AI64478
955374-13-7 | 2-Pyrrolidinopyrimidine-5-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64478
ChemicalName
2-Pyrrolidinopyrimidine-5-boronic acid
CasNumber
955374-13-7
MolecularFormula
C8H12BN3O2
MolecularWeight
193.0108
MdlNumber
MFCD10696938
Smiles
OB(c1cnc(nc1)N1CCCC1)O
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AI64478
ChemicalName: 2-Pyrrolidinopyrimidine-5-boronic acid
CasNumber: 955374-13-7
MolecularFormula: C8H12BN3O2
MolecularWeight: 193.0108
MdlNumber: MFCD10696938
Smiles: OB(c1cnc(nc1)N1CCCC1)O
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AI64478
ChemicalName:
2-Pyrrolidinopyrimidine-5-boronic acid
CasNumber:
955374-13-7
MolecularFormula:
C8H12BN3O2
MolecularWeight:
193.0108
MdlNumber:
MFCD10696938
Smiles:
OB(c1cnc(nc1)N1CCCC1)O
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1cc(ccc1OS(=O)(=O)C(F)(F)F)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cc(ccc1OS(=O)(=O)C(F)(F)F)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: COc1ncc(c(c1)Cl)[N+](=O)[O-]
Complexity: __
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Smiles:
COc1ncc(c(c1)Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#CCc1ccc(c(c1)I)N
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
__
Smiles:
N#CCc1ccc(c(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__