AI04079
957034-42-3 | 3-(2-Nitroethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI04079
ChemicalName
3-(2-Nitroethyl)phenylboronic acid
CasNumber
957034-42-3
MolecularFormula
C8H10BNO4
MolecularWeight
194.9803
MdlNumber
MFCD09258757
Smiles
[O-][N+](=O)CCc1cccc(c1)B(O)O
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AI04079
ChemicalName: 3-(2-Nitroethyl)phenylboronic acid
CasNumber: 957034-42-3
MolecularFormula: C8H10BNO4
MolecularWeight: 194.9803
MdlNumber: MFCD09258757
Smiles: [O-][N+](=O)CCc1cccc(c1)B(O)O
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI04079
ChemicalName:
3-(2-Nitroethyl)phenylboronic acid
CasNumber:
957034-42-3
MolecularFormula:
C8H10BNO4
MolecularWeight:
194.9803
MdlNumber:
MFCD09258757
Smiles:
[O-][N+](=O)CCc1cccc(c1)B(O)O
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI04080
ChemicalName: 4-(3-Bromopropoxy)phenylboronic acid
CasNumber: 957034-33-2
MolecularFormula: C9H12BBrO3
MolecularWeight: 258.9048
MdlNumber: MFCD09258751
Smiles: BrCCCOc1ccc(cc1)B(O)O
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AI04080
ChemicalName:
4-(3-Bromopropoxy)phenylboronic acid
CasNumber:
957034-33-2
MolecularFormula:
C9H12BBrO3
MolecularWeight:
258.9048
MdlNumber:
MFCD09258751
Smiles:
BrCCCOc1ccc(cc1)B(O)O
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: AI04081
ChemicalName: 3-(2,2-Dicyanovinyl)phenylboronic acid
CasNumber: 957034-31-0
MolecularFormula: C10H7BN2O2
MolecularWeight: 197.98578
MdlNumber: MFCD06214067
Smiles: N#CC(=Cc1cccc(c1)B(O)O)C#N
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AI04081
ChemicalName:
3-(2,2-Dicyanovinyl)phenylboronic acid
CasNumber:
957034-31-0
MolecularFormula:
C10H7BN2O2
MolecularWeight:
197.98578
MdlNumber:
MFCD06214067
Smiles:
N#CC(=Cc1cccc(c1)B(O)O)C#N
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: O=C1C=CC(=O)N1c1cccc(c1)C(=O)C
Complexity: __
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Smiles:
O=C1C=CC(=O)N1c1cccc(c1)C(=O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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