AE95808
187331-46-0 | Methyl 3-bromo-5-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE95808
ChemicalName
Methyl 3-bromo-5-(trifluoromethyl)benzoate
CasNumber
187331-46-0
MolecularFormula
C9H6BrF3O2
MolecularWeight
283.0419
MdlNumber
MFCD11847338
Smiles
COC(=O)c1cc(Br)cc(c1)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AE95808
ChemicalName: Methyl 3-bromo-5-(trifluoromethyl)benzoate
CasNumber: 187331-46-0
MolecularFormula: C9H6BrF3O2
MolecularWeight: 283.0419
MdlNumber: MFCD11847338
Smiles: COC(=O)c1cc(Br)cc(c1)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AE95808
ChemicalName:
Methyl 3-bromo-5-(trifluoromethyl)benzoate
CasNumber:
187331-46-0
MolecularFormula:
C9H6BrF3O2
MolecularWeight:
283.0419
MdlNumber:
MFCD11847338
Smiles:
COC(=O)c1cc(Br)cc(c1)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1ccc2c1ccc(c2)Br
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1ccc2c1ccc(c2)Br
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AE95810
ChemicalName: 8-Methylamino-5--nitroquinolilne
CasNumber: 152810-27-0
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD00777815
Smiles: CNc1ccc(c2c1nccc2)[N+](=O)[O-]
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AE95810
ChemicalName:
8-Methylamino-5--nitroquinolilne
CasNumber:
152810-27-0
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD00777815
Smiles:
CNc1ccc(c2c1nccc2)[N+](=O)[O-]
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__