AG30318
55580-07-9 | 4-(4-Bromophenoxy)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG30318
ChemicalName
4-(4-Bromophenoxy)butanoic acid
CasNumber
55580-07-9
MolecularFormula
C10H11BrO3
MolecularWeight
259.09654
MdlNumber
MFCD03964634
Smiles
OC(=O)CCCOc1ccc(cc1)Br
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AG30318
ChemicalName: 4-(4-Bromophenoxy)butanoic acid
CasNumber: 55580-07-9
MolecularFormula: C10H11BrO3
MolecularWeight: 259.09654
MdlNumber: MFCD03964634
Smiles: OC(=O)CCCOc1ccc(cc1)Br
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AG30318
ChemicalName:
4-(4-Bromophenoxy)butanoic acid
CasNumber:
55580-07-9
MolecularFormula:
C10H11BrO3
MolecularWeight:
259.09654
MdlNumber:
MFCD03964634
Smiles:
OC(=O)CCCOc1ccc(cc1)Br
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
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:
__
MdlNumber:
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Smiles:
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]([C@@H](OCc1ccccc1)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]([C@@H](OCc1ccccc1)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__