AF28080
24091-92-7 | Methyl 2-bromo-2-(4-chlorophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AF28080
ChemicalName
Methyl 2-bromo-2-(4-chlorophenyl)acetate
CasNumber
24091-92-7
MolecularFormula
C9H8BrClO2
MolecularWeight
263.5156
MdlNumber
MFCD16038767
Smiles
COC(=O)C(c1ccc(cc1)Cl)Br
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.2
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CatalogNumber: AF28080
ChemicalName: Methyl 2-bromo-2-(4-chlorophenyl)acetate
CasNumber: 24091-92-7
MolecularFormula: C9H8BrClO2
MolecularWeight: 263.5156
MdlNumber: MFCD16038767
Smiles: COC(=O)C(c1ccc(cc1)Cl)Br
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.2
CatalogNumber:
AF28080
ChemicalName:
Methyl 2-bromo-2-(4-chlorophenyl)acetate
CasNumber:
24091-92-7
MolecularFormula:
C9H8BrClO2
MolecularWeight:
263.5156
MdlNumber:
MFCD16038767
Smiles:
COC(=O)C(c1ccc(cc1)Cl)Br
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C1C=C2C(=C[C@@H]3[C@@H]([C@]2([C@@H]2[C@H]1C2)C)CC[C@]1([C@H]3CC[C@]1(O)C(=O)C)C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=C1C=C2C(=C[C@@H]3[C@@H]([C@]2([C@@H]2[C@H]1C2)C)CC[C@]1([C@H]3CC[C@]1(O)C(=O)C)C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: [O-]C(=O)CCCCC1SSCC1.[Na+]
Complexity: 155
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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Smiles:
[O-]C(=O)CCCCC1SSCC1.[Na+]
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: N#CCc1cccc(c1C)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#CCc1cccc(c1C)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__