AI39993
1809876-48-9 | 1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AI39993
ChemicalName
1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber
1809876-48-9
MolecularFormula
C19H21BCl2N2O3
MolecularWeight
407.0986
MdlNumber
MFCD20231483
Smiles
O=C(Nc1ccc(cc1Cl)Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
533
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AI39993
ChemicalName: 1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 1809876-48-9
MolecularFormula: C19H21BCl2N2O3
MolecularWeight: 407.0986
MdlNumber: MFCD20231483
Smiles: O=C(Nc1ccc(cc1Cl)Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 533
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI39993
ChemicalName:
1-(2,4-Dichlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
1809876-48-9
MolecularFormula:
C19H21BCl2N2O3
MolecularWeight:
407.0986
MdlNumber:
MFCD20231483
Smiles:
O=C(Nc1ccc(cc1Cl)Cl)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
533
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1nc2c(c1)cc(cn2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cn1nc2c(c1)cc(cn2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AI39995
ChemicalName: 3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber: 1809900-40-0
MolecularFormula: C14H17BCl2O4
MolecularWeight: 330.9994
MdlNumber: MFCD18783184
Smiles: COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AI39995
ChemicalName:
3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber:
1809900-40-0
MolecularFormula:
C14H17BCl2O4
MolecularWeight:
330.9994
MdlNumber:
MFCD18783184
Smiles:
COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)nc([nH]2)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)nc([nH]2)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__