AI36205
1451391-42-6 | 3-Cyano-5-methylphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI36205
ChemicalName
3-Cyano-5-methylphenylboronic acid
CasNumber
1451391-42-6
MolecularFormula
C8H8BNO2
MolecularWeight
160.9656
MdlNumber
MFCD18394418
Smiles
N#Cc1cc(C)cc(c1)B(O)O
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AI36205
ChemicalName: 3-Cyano-5-methylphenylboronic acid
CasNumber: 1451391-42-6
MolecularFormula: C8H8BNO2
MolecularWeight: 160.9656
MdlNumber: MFCD18394418
Smiles: N#Cc1cc(C)cc(c1)B(O)O
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI36205
ChemicalName:
3-Cyano-5-methylphenylboronic acid
CasNumber:
1451391-42-6
MolecularFormula:
C8H8BNO2
MolecularWeight:
160.9656
MdlNumber:
MFCD18394418
Smiles:
N#Cc1cc(C)cc(c1)B(O)O
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AI36206
ChemicalName: 6-Ethoxy-2-fluoro-3-methylphenylboronic acid
CasNumber: 1451391-66-4
MolecularFormula: C9H12BFO3
MolecularWeight: 197.9992
MdlNumber: MFCD19981512
Smiles: CCOc1ccc(c(c1B(O)O)F)C
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AI36206
ChemicalName:
6-Ethoxy-2-fluoro-3-methylphenylboronic acid
CasNumber:
1451391-66-4
MolecularFormula:
C9H12BFO3
MolecularWeight:
197.9992
MdlNumber:
MFCD19981512
Smiles:
CCOc1ccc(c(c1B(O)O)F)C
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AI36207
ChemicalName: 5-Carboxy-2-ethoxyphenylboronic acid
CasNumber: 1451391-73-3
MolecularFormula: C9H11BO5
MolecularWeight: 209.9916
MdlNumber: MFCD11044923
Smiles: CCOc1ccc(cc1B(O)O)C(=O)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AI36207
ChemicalName:
5-Carboxy-2-ethoxyphenylboronic acid
CasNumber:
1451391-73-3
MolecularFormula:
C9H11BO5
MolecularWeight:
209.9916
MdlNumber:
MFCD11044923
Smiles:
CCOc1ccc(cc1B(O)O)C(=O)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
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Smiles: CN(C1CCOCC1)C1CCNCC1.Cl
Complexity: __
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Smiles:
CN(C1CCOCC1)C1CCNCC1.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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