AD12533
951884-02-9 | Methyl 5-bromo-4-chloro-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD12533
ChemicalName
Methyl 5-bromo-4-chloro-2-fluorobenzoate
CasNumber
951884-02-9
MolecularFormula
C8H5BrClFO2
MolecularWeight
267.4795
MdlNumber
MFCD09800902
Smiles
COC(=O)c1cc(Br)c(cc1F)Cl
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AD12533
ChemicalName: Methyl 5-bromo-4-chloro-2-fluorobenzoate
CasNumber: 951884-02-9
MolecularFormula: C8H5BrClFO2
MolecularWeight: 267.4795
MdlNumber: MFCD09800902
Smiles: COC(=O)c1cc(Br)c(cc1F)Cl
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AD12533
ChemicalName:
Methyl 5-bromo-4-chloro-2-fluorobenzoate
CasNumber:
951884-02-9
MolecularFormula:
C8H5BrClFO2
MolecularWeight:
267.4795
MdlNumber:
MFCD09800902
Smiles:
COC(=O)c1cc(Br)c(cc1F)Cl
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AD12534
ChemicalName: 2-Bromo-N-pentylbenzenesulfonamide
CasNumber: 951883-99-1
MolecularFormula: C11H16BrNO2S
MolecularWeight: 306.2192
MdlNumber: MFCD09800967
Smiles: CCCCCNS(=O)(=O)c1ccccc1Br
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AD12534
ChemicalName:
2-Bromo-N-pentylbenzenesulfonamide
CasNumber:
951883-99-1
MolecularFormula:
C11H16BrNO2S
MolecularWeight:
306.2192
MdlNumber:
MFCD09800967
Smiles:
CCCCCNS(=O)(=O)c1ccccc1Br
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
3.4
CatalogNumber: AD12535
ChemicalName: N-Methyl 4-chloro-2-hydroxymethylaniline
CasNumber: 951883-91-3
MolecularFormula: C8H10ClNO
MolecularWeight: 171.6241
MdlNumber: MFCD09800851
Smiles: OCc1cc(Cl)ccc1NC
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD12535
ChemicalName:
N-Methyl 4-chloro-2-hydroxymethylaniline
CasNumber:
951883-91-3
MolecularFormula:
C8H10ClNO
MolecularWeight:
171.6241
MdlNumber:
MFCD09800851
Smiles:
OCc1cc(Cl)ccc1NC
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: O=C1NC(=O)C(N1)c1cn(c2c1cccc2)C
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Smiles:
O=C1NC(=O)C(N1)c1cn(c2c1cccc2)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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