AX55024
2096994-84-0 | 1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AX55024
ChemicalName
1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber
2096994-84-0
MolecularFormula
C21H27BN2O3
MolecularWeight
366.2617
MdlNumber
MFCD20231475
Smiles
O=C(Nc1ccc(cc1C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
524
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AX55024
ChemicalName: 1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096994-84-0
MolecularFormula: C21H27BN2O3
MolecularWeight: 366.2617
MdlNumber: MFCD20231475
Smiles: O=C(Nc1ccc(cc1C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 524
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AX55024
ChemicalName:
1-(2,4-Dimethylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096994-84-0
MolecularFormula:
C21H27BN2O3
MolecularWeight:
366.2617
MdlNumber:
MFCD20231475
Smiles:
O=C(Nc1ccc(cc1C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
524
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AX55025
ChemicalName: 2,3-Difluoro-4-(trifluoromethyl)benzeneboronic acid
CasNumber: 2096332-61-3
MolecularFormula: C7H4BF5O2
MolecularWeight: 225.9085
MdlNumber: MFCD14892600
Smiles: OB(c1ccc(c(c1F)F)C(F)(F)F)O
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AX55025
ChemicalName:
2,3-Difluoro-4-(trifluoromethyl)benzeneboronic acid
CasNumber:
2096332-61-3
MolecularFormula:
C7H4BF5O2
MolecularWeight:
225.9085
MdlNumber:
MFCD14892600
Smiles:
OB(c1ccc(c(c1F)F)C(F)(F)F)O
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1ccc(c(c1)C(=O)N)Br
Complexity: 244
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Smiles:
COC(=O)c1ccc(c(c1)C(=O)N)Br
Complexity:
244
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HydrogenBondAcceptorCount:
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Smiles: CN(/C=N/S(=O)(=O)c1ccc(cc1)C#N)C
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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:
CN(/C=N/S(=O)(=O)c1ccc(cc1)C#N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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