AX55202
2096995-75-2 | 1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AX55202
ChemicalName
1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber
2096995-75-2
MolecularFormula
C20H24BN3O6
MolecularWeight
413.2321
MdlNumber
MFCD20231482
Smiles
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity
625
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AX55202
ChemicalName: 1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096995-75-2
MolecularFormula: C20H24BN3O6
MolecularWeight: 413.2321
MdlNumber: MFCD20231482
Smiles: COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 625
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55202
ChemicalName:
1-(2-Methoxy-5-nitrophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096995-75-2
MolecularFormula:
C20H24BN3O6
MolecularWeight:
413.2321
MdlNumber:
MFCD20231482
Smiles:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
625
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55203
ChemicalName: 2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid
CasNumber: 2096339-99-8
MolecularFormula: C7H5BF4O3
MolecularWeight: 223.9174
MdlNumber: MFCD20441803
Smiles: Oc1cc(B(O)O)c(c(c1)C(F)(F)F)F
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AX55203
ChemicalName:
2-Fluoro-5-hydroxy-3-(trifluoromethyl)phenylboronic acid
CasNumber:
2096339-99-8
MolecularFormula:
C7H5BF4O3
MolecularWeight:
223.9174
MdlNumber:
MFCD20441803
Smiles:
Oc1cc(B(O)O)c(c(c1)C(F)(F)F)F
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: BrC(c1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])Br
Complexity: 398
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Smiles:
BrC(c1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])Br
Complexity:
398
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Smiles: OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NC1CC1)O
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OB(c1ccc(cc1C(F)(F)F)S(=O)(=O)NC1CC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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