AI60831
90971-88-3 | Methyl 2-bromo-5-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI60831
ChemicalName
Methyl 2-bromo-5-methylbenzoate
CasNumber
90971-88-3
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD00144764
Smiles
COC(=O)c1cc(C)ccc1Br
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI60831
ChemicalName: Methyl 2-bromo-5-methylbenzoate
CasNumber: 90971-88-3
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD00144764
Smiles: COC(=O)c1cc(C)ccc1Br
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI60831
ChemicalName:
Methyl 2-bromo-5-methylbenzoate
CasNumber:
90971-88-3
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD00144764
Smiles:
COC(=O)c1cc(C)ccc1Br
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1cc(Br)ccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cc(Br)ccn1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: O=Cc1ccc(n2c1cc(n2)C(F)(F)F)OC
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Smiles:
O=Cc1ccc(n2c1cc(n2)C(F)(F)F)OC
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCCSC1=CC=CC(=C1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCSC1=CC=CC(=C1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__