AD63615
18386-03-3 | 3-(3-Bromo-phenoxy)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AD63615
ChemicalName
3-(3-Bromo-phenoxy)-propionic acid
CasNumber
18386-03-3
MolecularFormula
C9H9BrO3
MolecularWeight
245.07
MdlNumber
MFCD00774355
Smiles
OC(=O)CCOc1cccc(c1)Br
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AD63615
ChemicalName: 3-(3-Bromo-phenoxy)-propionic acid
CasNumber: 18386-03-3
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD00774355
Smiles: OC(=O)CCOc1cccc(c1)Br
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AD63615
ChemicalName:
3-(3-Bromo-phenoxy)-propionic acid
CasNumber:
18386-03-3
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD00774355
Smiles:
OC(=O)CCOc1cccc(c1)Br
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
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Smiles: COC(=O)CC1CCCCN1C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)CC1CCCCN1C(=O)OC(C)(C)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: c1ccc(cc1)C#CCNC1CC1
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Smiles:
c1ccc(cc1)C#CCNC1CC1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C=CCSc1nc2CCCCc2cc1C#N
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Xlogp3: __
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__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CCSc1nc2CCCCc2cc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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