AC93994
95752-86-6 | 2-Formylphenylboronic acid, neopentyl glycol ester
Manufacturer: A2B Chem
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CatalogNumber
AC93994
ChemicalName
2-Formylphenylboronic acid, neopentyl glycol ester
CasNumber
95752-86-6
MolecularFormula
C12H15BO3
MolecularWeight
218.0567
MdlNumber
MFCD04039025
Smiles
O=Cc1ccccc1B1OCC(CO1)(C)C
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
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CatalogNumber: AC93994
ChemicalName: 2-Formylphenylboronic acid, neopentyl glycol ester
CasNumber: 95752-86-6
MolecularFormula: C12H15BO3
MolecularWeight: 218.0567
MdlNumber: MFCD04039025
Smiles: O=Cc1ccccc1B1OCC(CO1)(C)C
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
CatalogNumber:
AC93994
ChemicalName:
2-Formylphenylboronic acid, neopentyl glycol ester
CasNumber:
95752-86-6
MolecularFormula:
C12H15BO3
MolecularWeight:
218.0567
MdlNumber:
MFCD04039025
Smiles:
O=Cc1ccccc1B1OCC(CO1)(C)C
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
CatalogNumber: __
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MolecularFormula: __
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Smiles: Cn1ccc(n1)NC(=O)CCl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
Cn1ccc(n1)NC(=O)CCl
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=[13C]1[13CH2]N([13C](=O)N1)N
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Smiles:
O=[13C]1[13CH2]N([13C](=O)N1)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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CatalogNumber: __
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Smiles: CCOC(=O)/C=C/c1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@@H]1F)O)CO
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)/C=C/c1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@@H]1F)O)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__