AA40396
131001-86-0 | Methyl 2-bromo-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA40396
ChemicalName
Methyl 2-bromo-3-methylbenzoate
CasNumber
131001-86-0
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD00144762
Smiles
COC(=O)c1cccc(c1Br)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AA40396
ChemicalName: Methyl 2-bromo-3-methylbenzoate
CasNumber: 131001-86-0
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD00144762
Smiles: COC(=O)c1cccc(c1Br)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA40396
ChemicalName:
Methyl 2-bromo-3-methylbenzoate
CasNumber:
131001-86-0
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD00144762
Smiles:
COC(=O)c1cccc(c1Br)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: COc1ccc2c(c1Cl)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc2c(c1Cl)cccc2
Complexity:
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Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Oc1ccc2c(c1)ccc(c2)F
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Smiles:
Oc1ccc2c(c1)ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H]([C@H]([C@@H]2O)O)CO)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__