AB50413
1860-99-7 | 2-Bromothiophene-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB50413
ChemicalName
2-Bromothiophene-3-carbaldehyde
CasNumber
1860-99-7
MolecularFormula
C5H3BrOS
MolecularWeight
191.0457
MdlNumber
MFCD09025880
Smiles
Brc1sccc1C=O
Complexity
96.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AB50413
ChemicalName: 2-Bromothiophene-3-carbaldehyde
CasNumber: 1860-99-7
MolecularFormula: C5H3BrOS
MolecularWeight: 191.0457
MdlNumber: MFCD09025880
Smiles: Brc1sccc1C=O
Complexity: 96.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB50413
ChemicalName:
2-Bromothiophene-3-carbaldehyde
CasNumber:
1860-99-7
MolecularFormula:
C5H3BrOS
MolecularWeight:
191.0457
MdlNumber:
MFCD09025880
Smiles:
Brc1sccc1C=O
Complexity:
96.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O.O
Complexity: 481
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O.O
Complexity:
481
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50415
ChemicalName: 4-(3-Fluorophenyl)benzoic acid
CasNumber: 1841-58-3
MolecularFormula: C13H9FO2
MolecularWeight: 216.2078
MdlNumber: MFCD03424609
Smiles: Fc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB50415
ChemicalName:
4-(3-Fluorophenyl)benzoic acid
CasNumber:
1841-58-3
MolecularFormula:
C13H9FO2
MolecularWeight:
216.2078
MdlNumber:
MFCD03424609
Smiles:
Fc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AB50416
ChemicalName: U-73122
CasNumber: 112648-68-7
MolecularFormula: C29H40N2O3
MolecularWeight: 464.6395
MdlNumber: MFCD12910450
Smiles: COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C
Complexity: 763
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 4
RotatableBondCount: 9
Xlogp3: 4
CatalogNumber:
AB50416
ChemicalName:
U-73122
CasNumber:
112648-68-7
MolecularFormula:
C29H40N2O3
MolecularWeight:
464.6395
MdlNumber:
MFCD12910450
Smiles:
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C
Complexity:
763
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
4
RotatableBondCount:
9
Xlogp3:
4