AA03243
1007-16-5 | 3-Bromo-4-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA03243
ChemicalName
3-Bromo-4-fluorobenzoic acid
CasNumber
1007-16-5
MolecularFormula
C7H4BrFO2
MolecularWeight
219.0079
MdlNumber
MFCD00042463
Smiles
OC(=O)c1ccc(c(c1)Br)F
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AA03243
ChemicalName: 3-Bromo-4-fluorobenzoic acid
CasNumber: 1007-16-5
MolecularFormula: C7H4BrFO2
MolecularWeight: 219.0079
MdlNumber: MFCD00042463
Smiles: OC(=O)c1ccc(c(c1)Br)F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA03243
ChemicalName:
3-Bromo-4-fluorobenzoic acid
CasNumber:
1007-16-5
MolecularFormula:
C7H4BrFO2
MolecularWeight:
219.0079
MdlNumber:
MFCD00042463
Smiles:
OC(=O)c1ccc(c(c1)Br)F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AA03244
ChemicalName: 3'-Bromo-4'-fluoroacetophone
CasNumber: 1007-15-4
MolecularFormula: C8H6BrFO
MolecularWeight: 217.035
MdlNumber: MFCD00042466
Smiles: CC(=O)c1ccc(c(c1)Br)F
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA03244
ChemicalName:
3'-Bromo-4'-fluoroacetophone
CasNumber:
1007-15-4
MolecularFormula:
C8H6BrFO
MolecularWeight:
217.035
MdlNumber:
MFCD00042466
Smiles:
CC(=O)c1ccc(c(c1)Br)F
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(nc(n1)N)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(nc(n1)N)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C(C1NC(=O)NC1=O)CC#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C(C1NC(=O)NC1=O)CC#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__