AB06578
205871-49-4 | 4-(2-Formylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB06578
ChemicalName
4-(2-Formylphenyl)benzoic acid
CasNumber
205871-49-4
MolecularFormula
C14H10O3
MolecularWeight
226.2274
MdlNumber
MFCD03424615
Smiles
O=Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AB06578
ChemicalName: 4-(2-Formylphenyl)benzoic acid
CasNumber: 205871-49-4
MolecularFormula: C14H10O3
MolecularWeight: 226.2274
MdlNumber: MFCD03424615
Smiles: O=Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB06578
ChemicalName:
4-(2-Formylphenyl)benzoic acid
CasNumber:
205871-49-4
MolecularFormula:
C14H10O3
MolecularWeight:
226.2274
MdlNumber:
MFCD03424615
Smiles:
O=Cc1ccccc1c1ccc(cc1)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: Cc1nc(c(s1)C(=O)Oc1ccc(c(c1Cl)Cl)N)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1nc(c(s1)C(=O)Oc1ccc(c(c1Cl)Cl)N)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCN(S(=O)(=O)Cl)CC
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Smiles:
CCN(S(=O)(=O)Cl)CC
Complexity:
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Covalently-bondedUnitCount:
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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: COc1cccc(c1)N(c1ccccc1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
COc1cccc(c1)N(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__