AE43958
1218791-22-0 | 4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE43958
ChemicalName
4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester
CasNumber
1218791-22-0
MolecularFormula
C16H25BN2O4
MolecularWeight
320.1917
MdlNumber
MFCD12913979
Smiles
CCCCNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
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CatalogNumber: AE43958
ChemicalName: 4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-22-0
MolecularFormula: C16H25BN2O4
MolecularWeight: 320.1917
MdlNumber: MFCD12913979
Smiles: CCCCNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
CatalogNumber:
AE43958
ChemicalName:
4-N-Butylamino-3-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-22-0
MolecularFormula:
C16H25BN2O4
MolecularWeight:
320.1917
MdlNumber:
MFCD12913979
Smiles:
CCCCNc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)C)N.Cl
Complexity: 105
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)C)N.Cl
Complexity:
105
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE43960
ChemicalName: 2-Cyano-5-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-28-6
MolecularFormula: C13H15BN2O4
MolecularWeight: 274.0802
MdlNumber: MFCD12546472
Smiles: N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 435
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AE43960
ChemicalName:
2-Cyano-5-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-28-6
MolecularFormula:
C13H15BN2O4
MolecularWeight:
274.0802
MdlNumber:
MFCD12546472
Smiles:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
435
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: AE43961
ChemicalName: 3-Cyano-2-ethoxypyridine-5-boronic acid, pinacol ester
CasNumber: 1218791-35-5
MolecularFormula: C14H19BN2O3
MolecularWeight: 274.1233
MdlNumber: MFCD12546500
Smiles: CCOc1ncc(cc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity: 389
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AE43961
ChemicalName:
3-Cyano-2-ethoxypyridine-5-boronic acid, pinacol ester
CasNumber:
1218791-35-5
MolecularFormula:
C14H19BN2O3
MolecularWeight:
274.1233
MdlNumber:
MFCD12546500
Smiles:
CCOc1ncc(cc1C#N)B1OC(C(O1)(C)C)(C)C
Complexity:
389
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3