AE16744
1067914-81-1 | 1-Benzyl-3,3-difluoro-4,4-piperidinediol
Manufacturer: A2B Chem
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CatalogNumber
AE16744
ChemicalName
1-Benzyl-3,3-difluoro-4,4-piperidinediol
CasNumber
1067914-81-1
MolecularFormula
C12H15F2NO2
MolecularWeight
243.2498
MdlNumber
MFCD20926176
Smiles
OC1(O)CCN(CC1(F)F)Cc1ccccc1
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AE16744
ChemicalName: 1-Benzyl-3,3-difluoro-4,4-piperidinediol
CasNumber: 1067914-81-1
MolecularFormula: C12H15F2NO2
MolecularWeight: 243.2498
MdlNumber: MFCD20926176
Smiles: OC1(O)CCN(CC1(F)F)Cc1ccccc1
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AE16744
ChemicalName:
1-Benzyl-3,3-difluoro-4,4-piperidinediol
CasNumber:
1067914-81-1
MolecularFormula:
C12H15F2NO2
MolecularWeight:
243.2498
MdlNumber:
MFCD20926176
Smiles:
OC1(O)CCN(CC1(F)F)Cc1ccccc1
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#Cc1ccnc(n1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#Cc1ccnc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE16746
ChemicalName: 4-Bromo-2-(trifluoromethoxy)benzonitrile
CasNumber: 1187983-97-6
MolecularFormula: C8H3BrF3NO
MolecularWeight: 266.0147
MdlNumber: MFCD12761591
Smiles: N#Cc1ccc(cc1OC(F)(F)F)Br
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AE16746
ChemicalName:
4-Bromo-2-(trifluoromethoxy)benzonitrile
CasNumber:
1187983-97-6
MolecularFormula:
C8H3BrF3NO
MolecularWeight:
266.0147
MdlNumber:
MFCD12761591
Smiles:
N#Cc1ccc(cc1OC(F)(F)F)Br
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AE16747
ChemicalName: 2-Bromo-1h-indole-3-carbaldehyde
CasNumber: 119910-45-1
MolecularFormula: C9H6BrNO
MolecularWeight: 224.05403999999996
MdlNumber: MFCD18449874
Smiles: O=Cc1c(Br)[nH]c2c1cccc2
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE16747
ChemicalName:
2-Bromo-1h-indole-3-carbaldehyde
CasNumber:
119910-45-1
MolecularFormula:
C9H6BrNO
MolecularWeight:
224.05403999999996
MdlNumber:
MFCD18449874
Smiles:
O=Cc1c(Br)[nH]c2c1cccc2
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5