AA33225
1198615-60-9 | Methyl 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA33225
ChemicalName
Methyl 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber
1198615-60-9
MolecularFormula
C14H20BNO4
MolecularWeight
277.1239
MdlNumber
MFCD18384010
Smiles
COC(=O)c1ccc(cc1N)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: AA33225
ChemicalName: Methyl 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber: 1198615-60-9
MolecularFormula: C14H20BNO4
MolecularWeight: 277.1239
MdlNumber: MFCD18384010
Smiles: COC(=O)c1ccc(cc1N)B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA33225
ChemicalName:
Methyl 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CasNumber:
1198615-60-9
MolecularFormula:
C14H20BNO4
MolecularWeight:
277.1239
MdlNumber:
MFCD18384010
Smiles:
COC(=O)c1ccc(cc1N)B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AA33226
ChemicalName: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
CasNumber: 1198605-53-6
MolecularFormula: C12H18BNO4
MolecularWeight: 251.08661999999998
MdlNumber: MFCD16995409
Smiles: COC(=O)c1[nH]cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA33226
ChemicalName:
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
CasNumber:
1198605-53-6
MolecularFormula:
C12H18BNO4
MolecularWeight:
251.08661999999998
MdlNumber:
MFCD16995409
Smiles:
COC(=O)c1[nH]cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: O=C1N(CC2C1C2)Cc1ccccc1
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O=C1N(CC2C1C2)Cc1ccccc1
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Smiles: Cc1ccc(c(c1)S)[N+](=O)[O-]
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Cc1ccc(c(c1)S)[N+](=O)[O-]
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