AA36400
1261956-31-3 | Methyl 3-bromo-5-propoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA36400
ChemicalName
Methyl 3-bromo-5-propoxybenzoate
CasNumber
1261956-31-3
MolecularFormula
C11H13BrO3
MolecularWeight
273.1231
MdlNumber
MFCD18311870
Smiles
CCCOc1cc(Br)cc(c1)C(=O)OC
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AA36400
ChemicalName: Methyl 3-bromo-5-propoxybenzoate
CasNumber: 1261956-31-3
MolecularFormula: C11H13BrO3
MolecularWeight: 273.1231
MdlNumber: MFCD18311870
Smiles: CCCOc1cc(Br)cc(c1)C(=O)OC
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AA36400
ChemicalName:
Methyl 3-bromo-5-propoxybenzoate
CasNumber:
1261956-31-3
MolecularFormula:
C11H13BrO3
MolecularWeight:
273.1231
MdlNumber:
MFCD18311870
Smiles:
CCCOc1cc(Br)cc(c1)C(=O)OC
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: AA36401
ChemicalName: Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber: 1261956-26-6
MolecularFormula: C10H9ClN2O6
MolecularWeight: 288.6413
MdlNumber: MFCD18311907
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AA36401
ChemicalName:
Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber:
1261956-26-6
MolecularFormula:
C10H9ClN2O6
MolecularWeight:
288.6413
MdlNumber:
MFCD18311907
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AA36402
ChemicalName: 2-Chloro-4-(4-t-butylphenyl)benzoic acid
CasNumber: 1261955-02-5
MolecularFormula: C17H17ClO2
MolecularWeight: 288.76868
MdlNumber: MFCD18321120
Smiles: OC(=O)c1ccc(cc1Cl)c1ccc(cc1)C(C)(C)C
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 5.4
CatalogNumber:
AA36402
ChemicalName:
2-Chloro-4-(4-t-butylphenyl)benzoic acid
CasNumber:
1261955-02-5
MolecularFormula:
C17H17ClO2
MolecularWeight:
288.76868
MdlNumber:
MFCD18321120
Smiles:
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)C(C)(C)C
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
5.4
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Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(cc1)C(C)(C)C
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Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(cc1)C(C)(C)C
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