AD77666
108593-44-8 | Methyl 5-methoxy-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD77666
ChemicalName
Methyl 5-methoxy-3-methylbenzoate
CasNumber
108593-44-8
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD09833214
Smiles
COc1cc(C)cc(c1)C(=O)OC
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AD77666
ChemicalName: Methyl 5-methoxy-3-methylbenzoate
CasNumber: 108593-44-8
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD09833214
Smiles: COc1cc(C)cc(c1)C(=O)OC
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AD77666
ChemicalName:
Methyl 5-methoxy-3-methylbenzoate
CasNumber:
108593-44-8
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD09833214
Smiles:
COc1cc(C)cc(c1)C(=O)OC
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AD77669
ChemicalName: 4-Bromo-2,3,5,6-tetrafluorobenzaldehyde
CasNumber: 108574-98-7
MolecularFormula: C7HBrF4O
MolecularWeight: 256.9799
MdlNumber: MFCD31652790
Smiles: O=Cc1c(F)c(F)c(c(c1F)F)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AD77669
ChemicalName:
4-Bromo-2,3,5,6-tetrafluorobenzaldehyde
CasNumber:
108574-98-7
MolecularFormula:
C7HBrF4O
MolecularWeight:
256.9799
MdlNumber:
MFCD31652790
Smiles:
O=Cc1c(F)c(F)c(c(c1F)F)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.5
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Smiles: OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1
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Smiles:
OC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1
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Smiles: Clc1cc2CCOc2c(c1)C(=O)O
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CasNumber:
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Smiles:
Clc1cc2CCOc2c(c1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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