AE31855
1093120-64-9 | (5-(Ethoxycarbonyl)thiophen-2-yl)boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AE31855
ChemicalName
(5-(Ethoxycarbonyl)thiophen-2-yl)boronic acid
CasNumber
1093120-64-9
MolecularFormula
C9H13N3
MolecularWeight
163.2196
MdlNumber
MFCD09952062
Smiles
CC(c1ncccc1C(=N)N)C
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AE31855
ChemicalName: (5-(Ethoxycarbonyl)thiophen-2-yl)boronic acid
CasNumber: 1093120-64-9
MolecularFormula: C9H13N3
MolecularWeight: 163.2196
MdlNumber: MFCD09952062
Smiles: CC(c1ncccc1C(=N)N)C
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AE31855
ChemicalName:
(5-(Ethoxycarbonyl)thiophen-2-yl)boronic acid
CasNumber:
1093120-64-9
MolecularFormula:
C9H13N3
MolecularWeight:
163.2196
MdlNumber:
MFCD09952062
Smiles:
CC(c1ncccc1C(=N)N)C
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: C[C@@H](c1ccccc1)N[C@@H](C([N+](=O)[O-])(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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MolecularFormula:
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Smiles:
C[C@@H](c1ccccc1)N[C@@H](C([N+](=O)[O-])(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C#Cc1cnn(c1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
C#Cc1cnn(c1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(OC)nc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)F)n1cnc2c1nc(OC)nc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__