AB02186
179420-77-0 | 4-(3-Bromophenyl)oxane-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB02186
ChemicalName
4-(3-Bromophenyl)oxane-4-carboxylic acid
CasNumber
179420-77-0
MolecularFormula
C12H13BrO3
MolecularWeight
285.1338
MdlNumber
MFCD11642684
Smiles
Brc1cccc(c1)C1(CCOCC1)C(=O)O
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AB02186
ChemicalName: 4-(3-Bromophenyl)oxane-4-carboxylic acid
CasNumber: 179420-77-0
MolecularFormula: C12H13BrO3
MolecularWeight: 285.1338
MdlNumber: MFCD11642684
Smiles: Brc1cccc(c1)C1(CCOCC1)C(=O)O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB02186
ChemicalName:
4-(3-Bromophenyl)oxane-4-carboxylic acid
CasNumber:
179420-77-0
MolecularFormula:
C12H13BrO3
MolecularWeight:
285.1338
MdlNumber:
MFCD11642684
Smiles:
Brc1cccc(c1)C1(CCOCC1)C(=O)O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Ic1ccc(cc1)n1ccnc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Ic1ccc(cc1)n1ccnc1C
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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Smiles: Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N
Complexity: __
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Smiles:
Cc1nccn1c1ccc(cc1)Sc1cccc(c1)C1(CCOCC1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
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: O=C(Oc1ccc(cc1)[N+](=O)[O-])OC(Cl)(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC(Cl)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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