AX55209
2096997-05-4 | 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AX55209
ChemicalName
1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber
2096997-05-4
MolecularFormula
C21H27BN2O4
MolecularWeight
382.2611
MdlNumber
MFCD20231480
Smiles
COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
541
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AX55209
ChemicalName: 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096997-05-4
MolecularFormula: C21H27BN2O4
MolecularWeight: 382.2611
MdlNumber: MFCD20231480
Smiles: COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 541
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55209
ChemicalName:
1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096997-05-4
MolecularFormula:
C21H27BN2O4
MolecularWeight:
382.2611
MdlNumber:
MFCD20231480
Smiles:
COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
541
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(cc(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity: 435
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(cc(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity:
435
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55211
ChemicalName: 2-Fluoro-3-methoxy-5-methylphenylboronic acid
CasNumber: 2096329-52-9
MolecularFormula: C8H10BFO3
MolecularWeight: 183.9726
MdlNumber: MFCD19440599
Smiles: COc1cc(C)cc(c1F)B(O)O
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AX55211
ChemicalName:
2-Fluoro-3-methoxy-5-methylphenylboronic acid
CasNumber:
2096329-52-9
MolecularFormula:
C8H10BFO3
MolecularWeight:
183.9726
MdlNumber:
MFCD19440599
Smiles:
COc1cc(C)cc(c1F)B(O)O
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 447
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
447
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__