AE33695
134615-22-8 | (S)-1-(3-Bromophenyl)ethanol
Manufacturer: A2B Chem
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CatalogNumber
AE33695
ChemicalName
(S)-1-(3-Bromophenyl)ethanol
CasNumber
134615-22-8
MolecularFormula
C8H9BrO
MolecularWeight
201.0605
MdlNumber
MFCD06201859
Smiles
Brc1cccc(c1)[C@@H](O)C
Complexity
105
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AE33695
ChemicalName: (S)-1-(3-Bromophenyl)ethanol
CasNumber: 134615-22-8
MolecularFormula: C8H9BrO
MolecularWeight: 201.0605
MdlNumber: MFCD06201859
Smiles: Brc1cccc(c1)[C@@H](O)C
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE33695
ChemicalName:
(S)-1-(3-Bromophenyl)ethanol
CasNumber:
134615-22-8
MolecularFormula:
C8H9BrO
MolecularWeight:
201.0605
MdlNumber:
MFCD06201859
Smiles:
Brc1cccc(c1)[C@@H](O)C
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: O=C1N[C@@H]2C[C@H]1CC2
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Smiles:
O=C1N[C@@H]2C[C@H]1CC2
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)C(C)C)CC(C)C)C(CC)C)CC(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)C)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)C(C)C)CC(C)C)C(CC)C)CC(=O)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)C)C)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)N)C)C
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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