AD29461
214360-45-9 | (3-Cyanophenyl)boronic acid, neopentyl glycol ester
Manufacturer: A2B Chem
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CatalogNumber
AD29461
ChemicalName
(3-Cyanophenyl)boronic acid, neopentyl glycol ester
CasNumber
214360-45-9
MolecularFormula
C12H14BNO2
MolecularWeight
215.0561
MdlNumber
MFCD09750437
Smiles
N#Cc1cccc(c1)B1OCC(CO1)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AD29461
ChemicalName: (3-Cyanophenyl)boronic acid, neopentyl glycol ester
CasNumber: 214360-45-9
MolecularFormula: C12H14BNO2
MolecularWeight: 215.0561
MdlNumber: MFCD09750437
Smiles: N#Cc1cccc(c1)B1OCC(CO1)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AD29461
ChemicalName:
(3-Cyanophenyl)boronic acid, neopentyl glycol ester
CasNumber:
214360-45-9
MolecularFormula:
C12H14BNO2
MolecularWeight:
215.0561
MdlNumber:
MFCD09750437
Smiles:
N#Cc1cccc(c1)B1OCC(CO1)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
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Smiles: OC(C(F)(F)F)(c1cc(Cl)ccc1N)O.Cl
Complexity: __
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HeavyAtomCount: __
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Smiles:
OC(C(F)(F)F)(c1cc(Cl)ccc1N)O.Cl
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)N
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MolecularFormula:
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Smiles:
OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: COc1cccc2c1ncc(c2)O
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Smiles:
COc1cccc2c1ncc(c2)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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