AA36274
1261911-97-0 | 4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36274
ChemicalName
4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
CasNumber
1261911-97-0
MolecularFormula
C21H18O3
MolecularWeight
318.3658
MdlNumber
MFCD18322860
Smiles
OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.9
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CatalogNumber: AA36274
ChemicalName: 4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
CasNumber: 1261911-97-0
MolecularFormula: C21H18O3
MolecularWeight: 318.3658
MdlNumber: MFCD18322860
Smiles: OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.9
CatalogNumber:
AA36274
ChemicalName:
4-(3-Benzyloxyphenyl)-3-methylbenzoic acid
CasNumber:
1261911-97-0
MolecularFormula:
C21H18O3
MolecularWeight:
318.3658
MdlNumber:
MFCD18322860
Smiles:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.9
CatalogNumber: AA36275
ChemicalName: 3-(4-Methoxy-3-trifluoromethylphenyl)-5-nitrobenzoic acid
CasNumber: 1261911-36-7
MolecularFormula: C15H10F3NO5
MolecularWeight: 341.2388
MdlNumber: MFCD18322826
Smiles: COc1ccc(cc1C(F)(F)F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA36275
ChemicalName:
3-(4-Methoxy-3-trifluoromethylphenyl)-5-nitrobenzoic acid
CasNumber:
1261911-36-7
MolecularFormula:
C15H10F3NO5
MolecularWeight:
341.2388
MdlNumber:
MFCD18322826
Smiles:
COc1ccc(cc1C(F)(F)F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(Br)ccc1C(=O)N1CCOCC1
Complexity: 281
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOc1cc(Br)ccc1C(=O)N1CCOCC1
Complexity:
281
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
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ChemicalName: __
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Smiles: Cc1cc(ccc1c1cccc(c1)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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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MdlNumber:
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Smiles:
Cc1cc(ccc1c1cccc(c1)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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