AB52281
881674-56-2 | 5-(2-Fluorophenyl)-1h-pyrrole-3-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB52281
ChemicalName
5-(2-Fluorophenyl)-1h-pyrrole-3-carbaldehyde
CasNumber
881674-56-2
MolecularFormula
C11H8FNO
MolecularWeight
189.1857
MdlNumber
MFCD11875867
Smiles
O=Cc1c[nH]c(c1)c1ccccc1F
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB52281
ChemicalName: 5-(2-Fluorophenyl)-1h-pyrrole-3-carbaldehyde
CasNumber: 881674-56-2
MolecularFormula: C11H8FNO
MolecularWeight: 189.1857
MdlNumber: MFCD11875867
Smiles: O=Cc1c[nH]c(c1)c1ccccc1F
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB52281
ChemicalName:
5-(2-Fluorophenyl)-1h-pyrrole-3-carbaldehyde
CasNumber:
881674-56-2
MolecularFormula:
C11H8FNO
MolecularWeight:
189.1857
MdlNumber:
MFCD11875867
Smiles:
O=Cc1c[nH]c(c1)c1ccccc1F
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB52282
ChemicalName: N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
CasNumber: 1421372-94-2
MolecularFormula: C20H16FN5O3
MolecularWeight: 393.3711
MdlNumber: MFCD28167946
Smiles: COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity: 579
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AB52282
ChemicalName:
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1h-indol-3-yl)pyrimidin-2-amine
CasNumber:
1421372-94-2
MolecularFormula:
C20H16FN5O3
MolecularWeight:
393.3711
MdlNumber:
MFCD28167946
Smiles:
COc1cc(F)c(cc1Nc1nccc(n1)c1cn(c2c1cccc2)C)[N+](=O)[O-]
Complexity:
579
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.7
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Smiles: O=Cc1ccc(cc1C(F)(F)F)N
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O=Cc1ccc(cc1C(F)(F)F)N
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Smiles: N#Cc1ncc(cc1C(F)(F)F)N
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Smiles:
N#Cc1ncc(cc1C(F)(F)F)N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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