AB66816
849035-77-4 | 4-Bromo-2-(methylsulfonyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB66816
ChemicalName
4-Bromo-2-(methylsulfonyl)benzaldehyde
CasNumber
849035-77-4
MolecularFormula
C8H7BrO3S
MolecularWeight
263.1084
MdlNumber
MFCD04037947
Smiles
O=Cc1ccc(cc1S(=O)(=O)C)Br
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB66816
ChemicalName: 4-Bromo-2-(methylsulfonyl)benzaldehyde
CasNumber: 849035-77-4
MolecularFormula: C8H7BrO3S
MolecularWeight: 263.1084
MdlNumber: MFCD04037947
Smiles: O=Cc1ccc(cc1S(=O)(=O)C)Br
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB66816
ChemicalName:
4-Bromo-2-(methylsulfonyl)benzaldehyde
CasNumber:
849035-77-4
MolecularFormula:
C8H7BrO3S
MolecularWeight:
263.1084
MdlNumber:
MFCD04037947
Smiles:
O=Cc1ccc(cc1S(=O)(=O)C)Br
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)S(=O)(=O)C)C(=O)O
Complexity: 319
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)S(=O)(=O)C)C(=O)O
Complexity:
319
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB66818
ChemicalName: 4-Bromo-2-(trifluoromethoxy)benzoic acid
CasNumber: 509142-48-7
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD12546979
Smiles: OC(=O)c1ccc(cc1OC(F)(F)F)Br
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB66818
ChemicalName:
4-Bromo-2-(trifluoromethoxy)benzoic acid
CasNumber:
509142-48-7
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD12546979
Smiles:
OC(=O)c1ccc(cc1OC(F)(F)F)Br
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AB66819
ChemicalName: 4-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber: 320-31-0
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD07787468
Smiles: Brc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB66819
ChemicalName:
4-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber:
320-31-0
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD07787468
Smiles:
Brc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3