AC18426
850689-27-9 | 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AC18426
ChemicalName
3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber
850689-27-9
MolecularFormula
C14H20BNO4
MolecularWeight
277.1239
MdlNumber
MFCD09258776
Smiles
COC(=O)c1cc(cc(c1)N)B1OC(C(O1)(C)C)(C)C
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AC18426
ChemicalName: 3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber: 850689-27-9
MolecularFormula: C14H20BNO4
MolecularWeight: 277.1239
MdlNumber: MFCD09258776
Smiles: COC(=O)c1cc(cc(c1)N)B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AC18426
ChemicalName:
3-Amino-5-methoxycarbonylphenylboronic acid, pinacol ester
CasNumber:
850689-27-9
MolecularFormula:
C14H20BNO4
MolecularWeight:
277.1239
MdlNumber:
MFCD09258776
Smiles:
COC(=O)c1cc(cc(c1)N)B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: COC(=O)c1cc(N)c(cn1)N
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Smiles:
COC(=O)c1cc(N)c(cn1)N
Complexity:
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Smiles: CC(=O)Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1cccc(c1)P(=O)([O-])[O-].[Na+].[NH4+]
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Smiles:
CC(=O)Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1cccc(c1)P(=O)([O-])[O-].[Na+].[NH4+]
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCC(c1ccc(cc1)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCC(c1ccc(cc1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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