AD90490
874290-64-9 | 4-(5-Oxopyrazolidin-3-yl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD90490
ChemicalName
4-(5-Oxopyrazolidin-3-yl)phenylboronic acid
CasNumber
874290-64-9
MolecularFormula
C9H11BN2O3
MolecularWeight
206.0062
MdlNumber
MFCD08235074
Smiles
OB(c1ccc(cc1)C1NNC(=O)C1)O
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD90490
ChemicalName: 4-(5-Oxopyrazolidin-3-yl)phenylboronic acid
CasNumber: 874290-64-9
MolecularFormula: C9H11BN2O3
MolecularWeight: 206.0062
MdlNumber: MFCD08235074
Smiles: OB(c1ccc(cc1)C1NNC(=O)C1)O
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD90490
ChemicalName:
4-(5-Oxopyrazolidin-3-yl)phenylboronic acid
CasNumber:
874290-64-9
MolecularFormula:
C9H11BN2O3
MolecularWeight:
206.0062
MdlNumber:
MFCD08235074
Smiles:
OB(c1ccc(cc1)C1NNC(=O)C1)O
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: AD90491
ChemicalName: Benzyl 4-borono-2-fluorophenylcarbamate
CasNumber: 874290-60-5
MolecularFormula: C14H13BFNO4
MolecularWeight: 289.0667
MdlNumber: MFCD08235098
Smiles: O=C(Nc1ccc(cc1F)B(O)O)OCc1ccccc1
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
CatalogNumber:
AD90491
ChemicalName:
Benzyl 4-borono-2-fluorophenylcarbamate
CasNumber:
874290-60-5
MolecularFormula:
C14H13BFNO4
MolecularWeight:
289.0667
MdlNumber:
MFCD08235098
Smiles:
O=C(Nc1ccc(cc1F)B(O)O)OCc1ccccc1
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
CatalogNumber: AD90492
ChemicalName: 2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid
CasNumber: 874289-42-6
MolecularFormula: C11H13BFNO3
MolecularWeight: 237.0352
MdlNumber: MFCD08436030
Smiles: O=C(c1ccc(c(c1)B(O)O)F)N1CCCC1
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AD90492
ChemicalName:
2-Fluoro-5-(pyrrolidine-1-carbonyl)phenylboronic acid
CasNumber:
874289-42-6
MolecularFormula:
C11H13BFNO3
MolecularWeight:
237.0352
MdlNumber:
MFCD08436030
Smiles:
O=C(c1ccc(c(c1)B(O)O)F)N1CCCC1
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCNC(=O)c1ccc(cc1F)B(O)O
Complexity: 253
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCNC(=O)c1ccc(cc1F)B(O)O
Complexity:
253
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__