AB02029
179232-29-2 | Methyl 4-bromo-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB02029
ChemicalName
Methyl 4-bromo-2-fluorobenzoate
CasNumber
179232-29-2
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344
MdlNumber
MFCD06203731
Smiles
COC(=O)c1ccc(cc1F)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB02029
ChemicalName: Methyl 4-bromo-2-fluorobenzoate
CasNumber: 179232-29-2
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD06203731
Smiles: COC(=O)c1ccc(cc1F)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB02029
ChemicalName:
Methyl 4-bromo-2-fluorobenzoate
CasNumber:
179232-29-2
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD06203731
Smiles:
COC(=O)c1ccc(cc1F)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCN1C=C[NH+](C1)CCC.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCN1C=C[NH+](C1)CCC.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB02031
ChemicalName: 4-Cyano-N-phenylbenzamide
CasNumber: 17922-96-2
MolecularFormula: C14H10N2O
MolecularWeight: 222.242
MdlNumber: MFCD00505998
Smiles: N#Cc1ccc(cc1)C(=O)Nc1ccccc1
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB02031
ChemicalName:
4-Cyano-N-phenylbenzamide
CasNumber:
17922-96-2
MolecularFormula:
C14H10N2O
MolecularWeight:
222.242
MdlNumber:
MFCD00505998
Smiles:
N#Cc1ccc(cc1)C(=O)Nc1ccccc1
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__