AD51308
893734-56-0 | 4-[3-(Trifluoromethyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD51308
ChemicalName
4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber
893734-56-0
MolecularFormula
C14H8F3N
MolecularWeight
247.2152
MdlNumber
MFCD05979301
Smiles
N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AD51308
ChemicalName: 4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-56-0
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD05979301
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AD51308
ChemicalName:
4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-56-0
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD05979301
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cncc(c1)c1ccc(o1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cncc(c1)c1ccc(o1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD51317
ChemicalName: 2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
CasNumber: 153121-88-1
MolecularFormula: C7H14O2S
MolecularWeight: 162.2499
MdlNumber: MFCD18907033
Smiles: OCCSC(=O)C(C)(C)C
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AD51317
ChemicalName:
2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
CasNumber:
153121-88-1
MolecularFormula:
C7H14O2S
MolecularWeight:
162.2499
MdlNumber:
MFCD18907033
Smiles:
OCCSC(=O)C(C)(C)C
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(cc[nH]c1=O)CN1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(cc[nH]c1=O)CN1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__