AA57038
1381944-30-4 | 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA57038
ChemicalName
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber
1381944-30-4
MolecularFormula
C9H5BrF3NO
MolecularWeight
280.0413
MdlNumber
MFCD22375096
Smiles
N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity
260
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA57038
ChemicalName: 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber: 1381944-30-4
MolecularFormula: C9H5BrF3NO
MolecularWeight: 280.0413
MdlNumber: MFCD22375096
Smiles: N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA57038
ChemicalName:
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber:
1381944-30-4
MolecularFormula:
C9H5BrF3NO
MolecularWeight:
280.0413
MdlNumber:
MFCD22375096
Smiles:
N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AA57039
ChemicalName: 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber: 1381944-29-1
MolecularFormula: C14H10FNS
MolecularWeight: 243.2993
MdlNumber: MFCD22375070
Smiles: CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA57039
ChemicalName:
2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber:
1381944-29-1
MolecularFormula:
C14H10FNS
MolecularWeight:
243.2993
MdlNumber:
MFCD22375070
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 403
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
403
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9