AI41642
1855897-91-4 | (E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI41642
ChemicalName
(E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid
CasNumber
1855897-91-4
MolecularFormula
C11H12BFO4
MolecularWeight
238.02
MdlNumber
MFCD18087692
Smiles
CCOC(=O)/C=C/c1ccc(c(c1)B(O)O)F
Complexity
283
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AI41642
ChemicalName: (E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid
CasNumber: 1855897-91-4
MolecularFormula: C11H12BFO4
MolecularWeight: 238.02
MdlNumber: MFCD18087692
Smiles: CCOC(=O)/C=C/c1ccc(c(c1)B(O)O)F
Complexity: 283
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AI41642
ChemicalName:
(E)-5-(2-Ethoxycarbonylethen-1-yl)-2-fluorophenylboronic acid
CasNumber:
1855897-91-4
MolecularFormula:
C11H12BFO4
MolecularWeight:
238.02
MdlNumber:
MFCD18087692
Smiles:
CCOC(=O)/C=C/c1ccc(c(c1)B(O)O)F
Complexity:
283
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
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Smiles: OC(=O)c1ccccc1N1CCCC1.Cl
Complexity: 211
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
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Smiles:
OC(=O)c1ccccc1N1CCCC1.Cl
Complexity:
211
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc(cc1)N(c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccccc1)c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccccc1
Complexity: 1360
Covalently-bondedUnitCount: __
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HeavyAtomCount: __
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Smiles:
c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc(cc1)N(c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccccc1)c1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccccc1
Complexity:
1360
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(NC1(CC1)C1CNCC1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(CC1)C1CNCC1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__