AA42668
127425-80-3 | 3-(4-Bromo-3-fluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA42668
ChemicalName
3-(4-Bromo-3-fluorophenyl)propanoic acid
CasNumber
127425-80-3
MolecularFormula
C9H8BrFO2
MolecularWeight
247.06102320000002
MdlNumber
MFCD18391366
Smiles
OC(=O)CCc1ccc(c(c1)F)Br
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA42668
ChemicalName: 3-(4-Bromo-3-fluorophenyl)propanoic acid
CasNumber: 127425-80-3
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.06102320000002
MdlNumber: MFCD18391366
Smiles: OC(=O)CCc1ccc(c(c1)F)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA42668
ChemicalName:
3-(4-Bromo-3-fluorophenyl)propanoic acid
CasNumber:
127425-80-3
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.06102320000002
MdlNumber:
MFCD18391366
Smiles:
OC(=O)CCc1ccc(c(c1)F)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCc2c1ccc(c2F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCc2c1ccc(c2F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA42670
ChemicalName: 4-Bromo-3-fluorobenzyl bromide
CasNumber: 127425-73-4
MolecularFormula: C7H5Br2F
MolecularWeight: 267.921
MdlNumber: MFCD11847179
Smiles: BrCc1ccc(c(c1)F)Br
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AA42670
ChemicalName:
4-Bromo-3-fluorobenzyl bromide
CasNumber:
127425-73-4
MolecularFormula:
C7H5Br2F
MolecularWeight:
267.921
MdlNumber:
MFCD11847179
Smiles:
BrCc1ccc(c(c1)F)Br
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1cc(OC)c(c(c1)OC)OC)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1cc(OC)c(c(c1)OC)OC)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__