AC07415
874219-44-0 | 3-(Dimethylcarbamoyl)-5-nitrophenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC07415
ChemicalName
3-(Dimethylcarbamoyl)-5-nitrophenylboronic acid
CasNumber
874219-44-0
MolecularFormula
C9H11BN2O5
MolecularWeight
238.005
MdlNumber
MFCD08235061
Smiles
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)O
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AC07415
ChemicalName: 3-(Dimethylcarbamoyl)-5-nitrophenylboronic acid
CasNumber: 874219-44-0
MolecularFormula: C9H11BN2O5
MolecularWeight: 238.005
MdlNumber: MFCD08235061
Smiles: OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)O
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AC07415
ChemicalName:
3-(Dimethylcarbamoyl)-5-nitrophenylboronic acid
CasNumber:
874219-44-0
MolecularFormula:
C9H11BN2O5
MolecularWeight:
238.005
MdlNumber:
MFCD08235061
Smiles:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)O
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AC07416
ChemicalName: 3-(Benzylcarbamoyl)-5-fluorophenylboronic acid
CasNumber: 874219-41-7
MolecularFormula: C14H13BFNO3
MolecularWeight: 273.0673
MdlNumber: MFCD08235058
Smiles: Fc1cc(cc(c1)B(O)O)C(=O)NCc1ccccc1
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AC07416
ChemicalName:
3-(Benzylcarbamoyl)-5-fluorophenylboronic acid
CasNumber:
874219-41-7
MolecularFormula:
C14H13BFNO3
MolecularWeight:
273.0673
MdlNumber:
MFCD08235058
Smiles:
Fc1cc(cc(c1)B(O)O)C(=O)NCc1ccccc1
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
CatalogNumber: AC07417
ChemicalName: 5-(Dimethylcarbamoyl)-3-fluorophenylboronic acid
CasNumber: 874219-39-3
MolecularFormula: C9H11BFNO3
MolecularWeight: 210.9979
MdlNumber: MFCD08235056
Smiles: Fc1cc(cc(c1)C(=O)N(C)C)B(O)O
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AC07417
ChemicalName:
5-(Dimethylcarbamoyl)-3-fluorophenylboronic acid
CasNumber:
874219-39-3
MolecularFormula:
C9H11BFNO3
MolecularWeight:
210.9979
MdlNumber:
MFCD08235056
Smiles:
Fc1cc(cc(c1)C(=O)N(C)C)B(O)O
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: [O-][N+](=O)c1cccc(c1)OCc1ccc(cc1)C(=O)O
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Smiles:
[O-][N+](=O)c1cccc(c1)OCc1ccc(cc1)C(=O)O
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