AB73717
170804-18-9 | Ethyl 3-amino-4,4,4-trifluorobutyrate
Manufacturer: A2B Chem
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CatalogNumber
AB73717
ChemicalName
Ethyl 3-amino-4,4,4-trifluorobutyrate
CasNumber
170804-18-9
MolecularFormula
C6H10F3NO2
MolecularWeight
185.1443
MdlNumber
MFCD01075754
Smiles
CCOC(=O)CC(C(F)(F)F)N
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AB73717
ChemicalName: Ethyl 3-amino-4,4,4-trifluorobutyrate
CasNumber: 170804-18-9
MolecularFormula: C6H10F3NO2
MolecularWeight: 185.1443
MdlNumber: MFCD01075754
Smiles: CCOC(=O)CC(C(F)(F)F)N
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AB73717
ChemicalName:
Ethyl 3-amino-4,4,4-trifluorobutyrate
CasNumber:
170804-18-9
MolecularFormula:
C6H10F3NO2
MolecularWeight:
185.1443
MdlNumber:
MFCD01075754
Smiles:
CCOC(=O)CC(C(F)(F)F)N
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1sc(cc1N)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1sc(cc1N)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB73719
ChemicalName: Ethyl 3-aminobenzoate
CasNumber: 582-33-2
MolecularFormula: C9H11NO2
MolecularWeight: 165.18913999999998
MdlNumber: MFCD00007794
Smiles: CCOC(=O)c1cccc(c1)N
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AB73719
ChemicalName:
Ethyl 3-aminobenzoate
CasNumber:
582-33-2
MolecularFormula:
C9H11NO2
MolecularWeight:
165.18913999999998
MdlNumber:
MFCD00007794
Smiles:
CCOC(=O)c1cccc(c1)N
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1oc2c(c1N)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1oc2c(c1N)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__