AA37261
126541-82-0 | Methyl 3-amino-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA37261
ChemicalName
Methyl 3-amino-4-(trifluoromethyl)benzoate
CasNumber
126541-82-0
MolecularFormula
C9H8F3NO2
MolecularWeight
219.1605
MdlNumber
MFCD14697987
Smiles
COC(=O)c1ccc(c(c1)N)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AA37261
ChemicalName: Methyl 3-amino-4-(trifluoromethyl)benzoate
CasNumber: 126541-82-0
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.1605
MdlNumber: MFCD14697987
Smiles: COC(=O)c1ccc(c(c1)N)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA37261
ChemicalName:
Methyl 3-amino-4-(trifluoromethyl)benzoate
CasNumber:
126541-82-0
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.1605
MdlNumber:
MFCD14697987
Smiles:
COC(=O)c1ccc(c(c1)N)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AA37262
ChemicalName: Methyl 3-nitro-4-trifluoromethylbenzoate
CasNumber: 126541-81-9
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD09264510
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA37262
ChemicalName:
Methyl 3-nitro-4-trifluoromethylbenzoate
CasNumber:
126541-81-9
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD09264510
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1nc[nH]c(=O)c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1nc[nH]c(=O)c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]cnc(c1Br)C(F)(F)F
Complexity: 281
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]cnc(c1Br)C(F)(F)F
Complexity:
281
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1