AB13109
191725-73-2 | 2-(1H-Pyrazol-1-yl)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB13109
ChemicalName
2-(1H-Pyrazol-1-yl)propan-1-ol
CasNumber
191725-73-2
MolecularFormula
C6H10N2O
MolecularWeight
126.1564
MdlNumber
MFCD09864511
Smiles
OCC(n1cccn1)C
Complexity
87.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
-0.1
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CatalogNumber: AB13109
ChemicalName: 2-(1H-Pyrazol-1-yl)propan-1-ol
CasNumber: 191725-73-2
MolecularFormula: C6H10N2O
MolecularWeight: 126.1564
MdlNumber: MFCD09864511
Smiles: OCC(n1cccn1)C
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.1
CatalogNumber:
AB13109
ChemicalName:
2-(1H-Pyrazol-1-yl)propan-1-ol
CasNumber:
191725-73-2
MolecularFormula:
C6H10N2O
MolecularWeight:
126.1564
MdlNumber:
MFCD09864511
Smiles:
OCC(n1cccn1)C
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.1
CatalogNumber: AB13110
ChemicalName: 4-(3-Trifluoromethylphenyl)phenol
CasNumber: 191724-12-6
MolecularFormula: C13H9F3O
MolecularWeight: 238.2052
MdlNumber: MFCD06801898
Smiles: Oc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 4.1
CatalogNumber:
AB13110
ChemicalName:
4-(3-Trifluoromethylphenyl)phenol
CasNumber:
191724-12-6
MolecularFormula:
C13H9F3O
MolecularWeight:
238.2052
MdlNumber:
MFCD06801898
Smiles:
Oc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.1
CatalogNumber: AB13111
ChemicalName: 4-(3-Hydroxymethylphenyl)phenol
CasNumber: 191724-10-4
MolecularFormula: C13H12O2
MolecularWeight: 200.2332
MdlNumber: MFCD17677632
Smiles: OCc1cccc(c1)c1ccc(cc1)O
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AB13111
ChemicalName:
4-(3-Hydroxymethylphenyl)phenol
CasNumber:
191724-10-4
MolecularFormula:
C13H12O2
MolecularWeight:
200.2332
MdlNumber:
MFCD17677632
Smiles:
OCc1cccc(c1)c1ccc(cc1)O
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(F)(F)F.CC([C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(F)(F)F.CC([C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__