AH58758
854273-16-8 | 2-[4-Amino-3-(trifluoromethyl)phenyl]acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH58758
ChemicalName
2-[4-Amino-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber
854273-16-8
MolecularFormula
C9H7F3N2
MolecularWeight
200.1605
MdlNumber
MFCD24448759
Smiles
N#CCc1ccc(c(c1)C(F)(F)F)N
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AH58758
ChemicalName: 2-[4-Amino-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber: 854273-16-8
MolecularFormula: C9H7F3N2
MolecularWeight: 200.1605
MdlNumber: MFCD24448759
Smiles: N#CCc1ccc(c(c1)C(F)(F)F)N
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AH58758
ChemicalName:
2-[4-Amino-3-(trifluoromethyl)phenyl]acetonitrile
CasNumber:
854273-16-8
MolecularFormula:
C9H7F3N2
MolecularWeight:
200.1605
MdlNumber:
MFCD24448759
Smiles:
N#CCc1ccc(c(c1)C(F)(F)F)N
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](C(=O)NC(C)C)NC(=O)OCc1ccccc1
Complexity: 299
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](C(=O)NC(C)C)NC(=O)OCc1ccccc1
Complexity:
299
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)CNC(=O)OCc1ccccc1)C
Complexity: 273
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NC(=O)CNC(=O)OCc1ccccc1)C
Complexity:
273
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AH58761
ChemicalName: 4-[4-(Benzyloxy)phenyl]-1,2,3,6-tetrahydropyridine
CasNumber: 778642-53-8
MolecularFormula: C18H19NO
MolecularWeight: 265.3496
MdlNumber: MFCD09805869
Smiles: N1CCC(=CC1)c1ccc(cc1)OCc1ccccc1
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AH58761
ChemicalName:
4-[4-(Benzyloxy)phenyl]-1,2,3,6-tetrahydropyridine
CasNumber:
778642-53-8
MolecularFormula:
C18H19NO
MolecularWeight:
265.3496
MdlNumber:
MFCD09805869
Smiles:
N1CCC(=CC1)c1ccc(cc1)OCc1ccccc1
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5