AF87911
3803-25-6 | 1-(3-Trifluoromethylphenyl)ethanamine HCl
Manufacturer: A2B Chem
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CatalogNumber
AF87911
ChemicalName
1-(3-Trifluoromethylphenyl)ethanamine HCl
CasNumber
3803-25-6
MolecularFormula
C9H11ClF3N
MolecularWeight
225.63854959999998
MdlNumber
MFCD22421524
Smiles
CC(c1cccc(c1)C(F)(F)F)N.Cl
Complexity
167
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AF87911
ChemicalName: 1-(3-Trifluoromethylphenyl)ethanamine HCl
CasNumber: 3803-25-6
MolecularFormula: C9H11ClF3N
MolecularWeight: 225.63854959999998
MdlNumber: MFCD22421524
Smiles: CC(c1cccc(c1)C(F)(F)F)N.Cl
Complexity: 167
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AF87911
ChemicalName:
1-(3-Trifluoromethylphenyl)ethanamine HCl
CasNumber:
3803-25-6
MolecularFormula:
C9H11ClF3N
MolecularWeight:
225.63854959999998
MdlNumber:
MFCD22421524
Smiles:
CC(c1cccc(c1)C(F)(F)F)N.Cl
Complexity:
167
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: AF87912
ChemicalName: N-Cyclopropyl-3-nitrobenzamide
CasNumber: 392709-17-0
MolecularFormula: C10H10N2O3
MolecularWeight: 206.198
MdlNumber: MFCD01349511
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])NC1CC1
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AF87912
ChemicalName:
N-Cyclopropyl-3-nitrobenzamide
CasNumber:
392709-17-0
MolecularFormula:
C10H10N2O3
MolecularWeight:
206.198
MdlNumber:
MFCD01349511
Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])NC1CC1
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: AF87915
ChemicalName: Methyl 5-cyano-2-methoxybenzoate
CasNumber: 40757-12-8
MolecularFormula: C10H9NO3
MolecularWeight: 191.1834
MdlNumber: MFCD11044990
Smiles: N#Cc1ccc(c(c1)C(=O)OC)OC
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
CatalogNumber:
AF87915
ChemicalName:
Methyl 5-cyano-2-methoxybenzoate
CasNumber:
40757-12-8
MolecularFormula:
C10H9NO3
MolecularWeight:
191.1834
MdlNumber:
MFCD11044990
Smiles:
N#Cc1ccc(c(c1)C(=O)OC)OC
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
CatalogNumber: AF87916
ChemicalName: Methyl 5-cyano-2-fluorobenzoate
CasNumber: 337362-21-7
MolecularFormula: C9H6FNO2
MolecularWeight: 179.1478
MdlNumber: MFCD11042790
Smiles: COC(=O)c1cc(C#N)ccc1F
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AF87916
ChemicalName:
Methyl 5-cyano-2-fluorobenzoate
CasNumber:
337362-21-7
MolecularFormula:
C9H6FNO2
MolecularWeight:
179.1478
MdlNumber:
MFCD11042790
Smiles:
COC(=O)c1cc(C#N)ccc1F
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__