AF02440
1704069-64-6 | (4-(1-morpholinoethyl)phenyl)boronic acid hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AF02440
ChemicalName
(4-(1-morpholinoethyl)phenyl)boronic acid hydrochloride
CasNumber
1704069-64-6
MolecularFormula
C12H19BClNO3
MolecularWeight
271.5482
MdlNumber
MFCD28805770
Smiles
OB(c1ccc(cc1)C(N1CCOCC1)C)O.Cl
Complexity
226
Covalently-bondedUnitCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AF02440
ChemicalName: (4-(1-morpholinoethyl)phenyl)boronic acid hydrochloride
CasNumber: 1704069-64-6
MolecularFormula: C12H19BClNO3
MolecularWeight: 271.5482
MdlNumber: MFCD28805770
Smiles: OB(c1ccc(cc1)C(N1CCOCC1)C)O.Cl
Complexity: 226
Covalently-bondedUnitCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AF02440
ChemicalName:
(4-(1-morpholinoethyl)phenyl)boronic acid hydrochloride
CasNumber:
1704069-64-6
MolecularFormula:
C12H19BClNO3
MolecularWeight:
271.5482
MdlNumber:
MFCD28805770
Smiles:
OB(c1ccc(cc1)C(N1CCOCC1)C)O.Cl
Complexity:
226
Covalently-bondedUnitCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: Cn1ncc(c1)c1cnc2c(c1)cc(cc2)C(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
Cn1ncc(c1)c1cnc2c(c1)cc(cc2)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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UndefinedAtomStereocenterCount:
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Smiles: O=C(N1CCC2(CC1)OCCCC2=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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MolecularFormula:
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__
MdlNumber:
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Smiles:
O=C(N1CCC2(CC1)OCCCC2=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: C1=CN=C(C(=C1Cl)[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CN=C(C(=C1Cl)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__