AB64430
254878-96-1 | 3-Bromo-4-(methylsulfonyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB64430
ChemicalName
3-Bromo-4-(methylsulfonyl)benzaldehyde
CasNumber
254878-96-1
MolecularFormula
C8H7BrO3S
MolecularWeight
263.1084
MdlNumber
MFCD13191600
Smiles
O=Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB64430
ChemicalName: 3-Bromo-4-(methylsulfonyl)benzaldehyde
CasNumber: 254878-96-1
MolecularFormula: C8H7BrO3S
MolecularWeight: 263.1084
MdlNumber: MFCD13191600
Smiles: O=Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB64430
ChemicalName:
3-Bromo-4-(methylsulfonyl)benzaldehyde
CasNumber:
254878-96-1
MolecularFormula:
C8H7BrO3S
MolecularWeight:
263.1084
MdlNumber:
MFCD13191600
Smiles:
O=Cc1ccc(c(c1)Br)S(=O)(=O)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)Br)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)Br)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB64432
ChemicalName: 3-Bromo-4-(trifluoromethoxy)benzamide
CasNumber: 914636-29-6
MolecularFormula: C8H5BrF3NO2
MolecularWeight: 284.03
MdlNumber: MFCD08458067
Smiles: Brc1cc(ccc1OC(F)(F)F)C(=O)N
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB64432
ChemicalName:
3-Bromo-4-(trifluoromethoxy)benzamide
CasNumber:
914636-29-6
MolecularFormula:
C8H5BrF3NO2
MolecularWeight:
284.03
MdlNumber:
MFCD08458067
Smiles:
Brc1cc(ccc1OC(F)(F)F)C(=O)N
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB64433
ChemicalName: 3-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber: 581813-17-4
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0153696
MdlNumber: MFCD13185386
Smiles: OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB64433
ChemicalName:
3-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber:
581813-17-4
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0153696
MdlNumber:
MFCD13185386
Smiles:
OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3