AE62452
1261976-11-7 | 4-(5-Formylthiophen-2-yl)-2-methylphenol
Manufacturer: A2B Chem
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CatalogNumber
AE62452
ChemicalName
4-(5-Formylthiophen-2-yl)-2-methylphenol
CasNumber
1261976-11-7
MolecularFormula
C12H10O2S
MolecularWeight
218.2716
MdlNumber
MFCD18313179
Smiles
O=Cc1ccc(s1)c1ccc(c(c1)C)O
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AE62452
ChemicalName: 4-(5-Formylthiophen-2-yl)-2-methylphenol
CasNumber: 1261976-11-7
MolecularFormula: C12H10O2S
MolecularWeight: 218.2716
MdlNumber: MFCD18313179
Smiles: O=Cc1ccc(s1)c1ccc(c(c1)C)O
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE62452
ChemicalName:
4-(5-Formylthiophen-2-yl)-2-methylphenol
CasNumber:
1261976-11-7
MolecularFormula:
C12H10O2S
MolecularWeight:
218.2716
MdlNumber:
MFCD18313179
Smiles:
O=Cc1ccc(s1)c1ccc(c(c1)C)O
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AE62453
ChemicalName: 2-Formyl-6-(2-trifluoromethylphenyl)phenol
CasNumber: 1261930-44-2
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD18314811
Smiles: O=Cc1cccc(c1O)c1ccccc1C(F)(F)F
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AE62453
ChemicalName:
2-Formyl-6-(2-trifluoromethylphenyl)phenol
CasNumber:
1261930-44-2
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD18314811
Smiles:
O=Cc1cccc(c1O)c1ccccc1C(F)(F)F
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
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Smiles: O=Cc1cccc(c1O)c1ccc(cc1)C(F)(F)F
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Smiles:
O=Cc1cccc(c1O)c1ccc(cc1)C(F)(F)F
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: O=Cc1cc(cnc1NC(=O)C(C)(C)C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(cnc1NC(=O)C(C)(C)C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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