AH93212
93670-18-9 | 3-(4-Bromophenoxy)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH93212
ChemicalName
3-(4-Bromophenoxy)propanoic acid
CasNumber
93670-18-9
MolecularFormula
C9H9BrO3
MolecularWeight
245.07
MdlNumber
MFCD02295727
Smiles
OC(=O)CCOc1ccc(cc1)Br
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AH93212
ChemicalName: 3-(4-Bromophenoxy)propanoic acid
CasNumber: 93670-18-9
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD02295727
Smiles: OC(=O)CCOc1ccc(cc1)Br
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AH93212
ChemicalName:
3-(4-Bromophenoxy)propanoic acid
CasNumber:
93670-18-9
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD02295727
Smiles:
OC(=O)CCOc1ccc(cc1)Br
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
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Smiles: CC[N+]1=CC=CC=C1C=CC=CC2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC[N+]1=CC=CC=C1C=CC=CC2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O
Complexity:
__
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Smiles: CCCCC[C@@H]1CC[C@H](CC1)CCC(=O)O
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Smiles:
CCCCC[C@@H]1CC[C@H](CC1)CCC(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(=C)C(=O)OCCCCCCOc1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=C)C(=O)OCCCCCCOc1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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