AD58871
22235-25-2 | Methyl 3-amino-5-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD58871
ChemicalName
Methyl 3-amino-5-(trifluoromethyl)benzoate
CasNumber
22235-25-2
MolecularFormula
C9H8F3NO2
MolecularWeight
219.1605
MdlNumber
MFCD00625827
Smiles
COC(=O)c1cc(N)cc(c1)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AD58871
ChemicalName: Methyl 3-amino-5-(trifluoromethyl)benzoate
CasNumber: 22235-25-2
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.1605
MdlNumber: MFCD00625827
Smiles: COC(=O)c1cc(N)cc(c1)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AD58871
ChemicalName:
Methyl 3-amino-5-(trifluoromethyl)benzoate
CasNumber:
22235-25-2
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.1605
MdlNumber:
MFCD00625827
Smiles:
COC(=O)c1cc(N)cc(c1)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AD58877
ChemicalName: Methyl 3-nitro-5-(trifluoromethyl)benzoate
CasNumber: 22227-63-0
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD06637356
Smiles: COC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD58877
ChemicalName:
Methyl 3-nitro-5-(trifluoromethyl)benzoate
CasNumber:
22227-63-0
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD06637356
Smiles:
COC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)O)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)O)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(c1ccc(c(c1)C)C=O)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(c1ccc(c(c1)C)C=O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__