AX55099
2096996-78-8 | 1-(2-Methoxy-5-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AX55099
ChemicalName
1-(2-Methoxy-5-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber
2096996-78-8
MolecularFormula
C21H27BN2O4
MolecularWeight
382.2611
MdlNumber
MFCD20231479
Smiles
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity
541
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AX55099
ChemicalName: 1-(2-Methoxy-5-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096996-78-8
MolecularFormula: C21H27BN2O4
MolecularWeight: 382.2611
MdlNumber: MFCD20231479
Smiles: COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 541
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55099
ChemicalName:
1-(2-Methoxy-5-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096996-78-8
MolecularFormula:
C21H27BN2O4
MolecularWeight:
382.2611
MdlNumber:
MFCD20231479
Smiles:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
541
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55100
ChemicalName: 3-(Isopropylthio)phenylboronic acid
CasNumber: 2096332-50-0
MolecularFormula: C9H13BO2S
MolecularWeight: 196.0743
MdlNumber: MFCD18837605
Smiles: CC(Sc1cccc(c1)B(O)O)C
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AX55100
ChemicalName:
3-(Isopropylthio)phenylboronic acid
CasNumber:
2096332-50-0
MolecularFormula:
C9H13BO2S
MolecularWeight:
196.0743
MdlNumber:
MFCD18837605
Smiles:
CC(Sc1cccc(c1)B(O)O)C
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NS(=O)(=O)c1cc(Br)ccc1F)(C)C
Complexity: 334
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:
CC(NS(=O)(=O)c1cc(Br)ccc1F)(C)C
Complexity:
334
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F
Complexity: 378
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCN(CC1)S(=O)(=O)c1cc(Br)ccc1F
Complexity:
378
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__