AI58396
873663-50-4 | 2,3-Diaminophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI58396
ChemicalName
2,3-Diaminophenylboronic acid pinacol ester
CasNumber
873663-50-4
MolecularFormula
C12H19BN2O2
MolecularWeight
234.1025
MdlNumber
MFCD22494032
Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1N)N
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AI58396
ChemicalName: 2,3-Diaminophenylboronic acid pinacol ester
CasNumber: 873663-50-4
MolecularFormula: C12H19BN2O2
MolecularWeight: 234.1025
MdlNumber: MFCD22494032
Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1N)N
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI58396
ChemicalName:
2,3-Diaminophenylboronic acid pinacol ester
CasNumber:
873663-50-4
MolecularFormula:
C12H19BN2O2
MolecularWeight:
234.1025
MdlNumber:
MFCD22494032
Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1N)N
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
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MolecularFormula: __
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Smiles: CC(=O)c1cccc(c1F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
CC(=O)c1cccc(c1F)[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: NNc1cc(cc(c1)C(=O)O)C(=O)O.Cl
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Smiles:
NNc1cc(cc(c1)C(=O)O)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1CCC(=O)c2c(N1)cc(Cl)cc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CCC(=O)c2c(N1)cc(Cl)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__