AA64456
146328-85-0 | 5-Bromo-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA64456
ChemicalName
5-Bromo-2-fluorobenzoic acid
CasNumber
146328-85-0
MolecularFormula
C7H4BrFO2
MolecularWeight
219.0079
MdlNumber
MFCD00143423
Smiles
Brc1ccc(c(c1)C(=O)O)F
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AA64456
ChemicalName: 5-Bromo-2-fluorobenzoic acid
CasNumber: 146328-85-0
MolecularFormula: C7H4BrFO2
MolecularWeight: 219.0079
MdlNumber: MFCD00143423
Smiles: Brc1ccc(c(c1)C(=O)O)F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA64456
ChemicalName:
5-Bromo-2-fluorobenzoic acid
CasNumber:
146328-85-0
MolecularFormula:
C7H4BrFO2
MolecularWeight:
219.0079
MdlNumber:
MFCD00143423
Smiles:
Brc1ccc(c(c1)C(=O)O)F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1[C@H](c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1[C@H](c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC=C(C1)C(=O)[O-])OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC=C(C1)C(=O)[O-])OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AA64464
ChemicalName: Methyl trans-4-(N-Boc-amino)cyclohexanecarboxylate
CasNumber: 146307-51-9
MolecularFormula: C13H23NO4
MolecularWeight: 257.326
MdlNumber: MFCD17015041
Smiles: COC(=O)[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AA64464
ChemicalName:
Methyl trans-4-(N-Boc-amino)cyclohexanecarboxylate
CasNumber:
146307-51-9
MolecularFormula:
C13H23NO4
MolecularWeight:
257.326
MdlNumber:
MFCD17015041
Smiles:
COC(=O)[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1