AA48997
13652-09-0 | 2,2,2-Trifluoro-1-phenyl-ethylamine HCl
Manufacturer: A2B Chem
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CatalogNumber
AA48997
ChemicalName
2,2,2-Trifluoro-1-phenyl-ethylamine HCl
CasNumber
13652-09-0
MolecularFormula
C8H9ClF3N
MolecularWeight
211.612
MdlNumber
MFCD00971700
Smiles
NC(C(F)(F)F)c1ccccc1.Cl
Complexity
138
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA48997
ChemicalName: 2,2,2-Trifluoro-1-phenyl-ethylamine HCl
CasNumber: 13652-09-0
MolecularFormula: C8H9ClF3N
MolecularWeight: 211.612
MdlNumber: MFCD00971700
Smiles: NC(C(F)(F)F)c1ccccc1.Cl
Complexity: 138
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA48997
ChemicalName:
2,2,2-Trifluoro-1-phenyl-ethylamine HCl
CasNumber:
13652-09-0
MolecularFormula:
C8H9ClF3N
MolecularWeight:
211.612
MdlNumber:
MFCD00971700
Smiles:
NC(C(F)(F)F)c1ccccc1.Cl
Complexity:
138
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(=[N+]=[N-])c1ccccc1)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(=[N+]=[N-])c1ccccc1)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AA48999
ChemicalName: Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
CasNumber: 1365271-87-9
MolecularFormula: C15H12FNO4
MolecularWeight: 289.2585
MdlNumber: MFCD21609614
Smiles: CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
CatalogNumber:
AA48999
ChemicalName:
Ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
CasNumber:
1365271-87-9
MolecularFormula:
C15H12FNO4
MolecularWeight:
289.2585
MdlNumber:
MFCD21609614
Smiles:
CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2nnn(c2cc1F)C(C)(C)C
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2nnn(c2cc1F)C(C)(C)C
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__