AB44714
722-92-9 | 4-(Hexafluoro-2-hydroxyisopropyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AB44714
ChemicalName
4-(Hexafluoro-2-hydroxyisopropyl)aniline
CasNumber
722-92-9
MolecularFormula
C9H7F6NO
MolecularWeight
259.1484
MdlNumber
MFCD00039258
Smiles
OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)N
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AB44714
ChemicalName: 4-(Hexafluoro-2-hydroxyisopropyl)aniline
CasNumber: 722-92-9
MolecularFormula: C9H7F6NO
MolecularWeight: 259.1484
MdlNumber: MFCD00039258
Smiles: OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)N
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB44714
ChemicalName:
4-(Hexafluoro-2-hydroxyisopropyl)aniline
CasNumber:
722-92-9
MolecularFormula:
C9H7F6NO
MolecularWeight:
259.1484
MdlNumber:
MFCD00039258
Smiles:
OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)N
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AB44715
ChemicalName: 4-(Hydroxymethyl)benzonitrile
CasNumber: 874-89-5
MolecularFormula: C8H7NO
MolecularWeight: 133.1473
MdlNumber: MFCD00870633
Smiles: OCc1ccc(cc1)C#N
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB44715
ChemicalName:
4-(Hydroxymethyl)benzonitrile
CasNumber:
874-89-5
MolecularFormula:
C8H7NO
MolecularWeight:
133.1473
MdlNumber:
MFCD00870633
Smiles:
OCc1ccc(cc1)C#N
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB44716
ChemicalName: 4-(Hydroxymethyl)phenoxyacetic acid
CasNumber: 68858-21-9
MolecularFormula: C9H10O4
MolecularWeight: 182.1733
MdlNumber: MFCD00057827
Smiles: OCc1ccc(cc1)OCC(=O)O
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB44716
ChemicalName:
4-(Hydroxymethyl)phenoxyacetic acid
CasNumber:
68858-21-9
MolecularFormula:
C9H10O4
MolecularWeight:
182.1733
MdlNumber:
MFCD00057827
Smiles:
OCc1ccc(cc1)OCC(=O)O
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB44717
ChemicalName: 4-(Hydroxymethyl)pyrrolidin-2-one
CasNumber: 64320-89-4
MolecularFormula: C5H9NO2
MolecularWeight: 115.1305
MdlNumber: MFCD11845728
Smiles: OCC1CNC(=O)C1
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1.2
CatalogNumber:
AB44717
ChemicalName:
4-(Hydroxymethyl)pyrrolidin-2-one
CasNumber:
64320-89-4
MolecularFormula:
C5H9NO2
MolecularWeight:
115.1305
MdlNumber:
MFCD11845728
Smiles:
OCC1CNC(=O)C1
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1.2