AB63482
2557-13-3 | Methyl 3-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB63482
ChemicalName
Methyl 3-(trifluoromethyl)benzoate
CasNumber
2557-13-3
MolecularFormula
C9H7F3O2
MolecularWeight
204.1459
MdlNumber
MFCD00043543
Smiles
COC(=O)c1cccc(c1)C(F)(F)F
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB63482
ChemicalName: Methyl 3-(trifluoromethyl)benzoate
CasNumber: 2557-13-3
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD00043543
Smiles: COC(=O)c1cccc(c1)C(F)(F)F
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB63482
ChemicalName:
Methyl 3-(trifluoromethyl)benzoate
CasNumber:
2557-13-3
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD00043543
Smiles:
COC(=O)c1cccc(c1)C(F)(F)F
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB63483
ChemicalName: 3-(Trifluoromethyl)benzonitrile
CasNumber: 368-77-4
MolecularFormula: C8H4F3N
MolecularWeight: 171.1193
MdlNumber: MFCD00001807
Smiles: N#Cc1cccc(c1)C(F)(F)F
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
AB63483
ChemicalName:
3-(Trifluoromethyl)benzonitrile
CasNumber:
368-77-4
MolecularFormula:
C8H4F3N
MolecularWeight:
171.1193
MdlNumber:
MFCD00001807
Smiles:
N#Cc1cccc(c1)C(F)(F)F
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cccc(c1)C(F)(F)F
Complexity: 202
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cccc(c1)C(F)(F)F
Complexity:
202
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: AB63485
ChemicalName: 3-(Trifluoromethyl)benzyl alcohol
CasNumber: 349-75-7
MolecularFormula: C8H7F3O
MolecularWeight: 176.13578959999998
MdlNumber: MFCD00004645
Smiles: OCc1cccc(c1)C(F)(F)F
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB63485
ChemicalName:
3-(Trifluoromethyl)benzyl alcohol
CasNumber:
349-75-7
MolecularFormula:
C8H7F3O
MolecularWeight:
176.13578959999998
MdlNumber:
MFCD00004645
Smiles:
OCc1cccc(c1)C(F)(F)F
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.2