AA36412
1261951-45-4 | 4-(3-Cyano-2-fluorophenyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AA36412
ChemicalName
4-(3-Cyano-2-fluorophenyl)phenol
CasNumber
1261951-45-4
MolecularFormula
C13H8FNO
MolecularWeight
213.2071
MdlNumber
MFCD18312840
Smiles
N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AA36412
ChemicalName: 4-(3-Cyano-2-fluorophenyl)phenol
CasNumber: 1261951-45-4
MolecularFormula: C13H8FNO
MolecularWeight: 213.2071
MdlNumber: MFCD18312840
Smiles: N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA36412
ChemicalName:
4-(3-Cyano-2-fluorophenyl)phenol
CasNumber:
1261951-45-4
MolecularFormula:
C13H8FNO
MolecularWeight:
213.2071
MdlNumber:
MFCD18312840
Smiles:
N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(F)cc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(F)cc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA36414
ChemicalName: 5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber: 1261969-21-4
MolecularFormula: C12H10O3S
MolecularWeight: 234.271
MdlNumber: MFCD18318893
Smiles: COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36414
ChemicalName:
5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber:
1261969-21-4
MolecularFormula:
C12H10O3S
MolecularWeight:
234.271
MdlNumber:
MFCD18318893
Smiles:
COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AA36415
ChemicalName: 5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid
CasNumber: 1261969-11-2
MolecularFormula: C20H21NO4
MolecularWeight: 339.385
MdlNumber: MFCD18323032
Smiles: COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C(=O)N1CCCCC1
Complexity: 466
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AA36415
ChemicalName:
5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid
CasNumber:
1261969-11-2
MolecularFormula:
C20H21NO4
MolecularWeight:
339.385
MdlNumber:
MFCD18323032
Smiles:
COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C(=O)N1CCCCC1
Complexity:
466
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4