AI45306
223251-25-0 | 1-(2-(4-(Chloromethyl)phenoxy)ethyl)azepane hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI45306
ChemicalName
1-(2-(4-(Chloromethyl)phenoxy)ethyl)azepane hydrochloride
CasNumber
223251-25-0
MolecularFormula
C15H23Cl2NO
MolecularWeight
304.2552
MdlNumber
MFCD11865353
Smiles
C1CCCN(CC1)CCOC2=CC=C(C=C2)CCl.Cl
Complexity
209
Covalently-bondedUnitCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
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CatalogNumber: AI45306
ChemicalName: 1-(2-(4-(Chloromethyl)phenoxy)ethyl)azepane hydrochloride
CasNumber: 223251-25-0
MolecularFormula: C15H23Cl2NO
MolecularWeight: 304.2552
MdlNumber: MFCD11865353
Smiles: C1CCCN(CC1)CCOC2=CC=C(C=C2)CCl.Cl
Complexity: 209
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
CatalogNumber:
AI45306
ChemicalName:
1-(2-(4-(Chloromethyl)phenoxy)ethyl)azepane hydrochloride
CasNumber:
223251-25-0
MolecularFormula:
C15H23Cl2NO
MolecularWeight:
304.2552
MdlNumber:
MFCD11865353
Smiles:
C1CCCN(CC1)CCOC2=CC=C(C=C2)CCl.Cl
Complexity:
209
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
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Smiles: O=C(N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
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Smiles:
O=C(N1CCC(CC1)C1CCN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
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Smiles: N#CCCNc1ncccc1N
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Smiles:
N#CCCNc1ncccc1N
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Smiles: OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O)C)C
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@]1(C)[C@@H](O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@@H]2CC(CC1)(C)C)C(=O)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__