AF71271
403646-48-0 | 2-Bromo-5-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF71271
ChemicalName
2-Bromo-5-(trifluoromethoxy)benzoic acid
CasNumber
403646-48-0
MolecularFormula
C8H4BrF3O3
MolecularWeight
285.0148
MdlNumber
MFCD07368726
Smiles
OC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.2
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CatalogNumber: AF71271
ChemicalName: 2-Bromo-5-(trifluoromethoxy)benzoic acid
CasNumber: 403646-48-0
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD07368726
Smiles: OC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AF71271
ChemicalName:
2-Bromo-5-(trifluoromethoxy)benzoic acid
CasNumber:
403646-48-0
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD07368726
Smiles:
OC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)N)OC1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)N)OC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF71274
ChemicalName: 2-(4-Nitro-pyrazol-1-yl)-ethanol
CasNumber: 42027-81-6
MolecularFormula: C5H7N3O3
MolecularWeight: 157.12738
MdlNumber: MFCD06740528
Smiles: [O-][N+](=O)c1cn(nc1)CCO
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.7
CatalogNumber:
AF71274
ChemicalName:
2-(4-Nitro-pyrazol-1-yl)-ethanol
CasNumber:
42027-81-6
MolecularFormula:
C5H7N3O3
MolecularWeight:
157.12738
MdlNumber:
MFCD06740528
Smiles:
[O-][N+](=O)c1cn(nc1)CCO
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.7