AB47738
85684-61-3 | 3-(Difluoromethoxy)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB47738
ChemicalName
3-(Difluoromethoxy)benzaldehyde
CasNumber
85684-61-3
MolecularFormula
C8H6F2O2
MolecularWeight
172.1288
MdlNumber
MFCD00236222
Smiles
O=Cc1cccc(c1)OC(F)F
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AB47738
ChemicalName: 3-(Difluoromethoxy)benzaldehyde
CasNumber: 85684-61-3
MolecularFormula: C8H6F2O2
MolecularWeight: 172.1288
MdlNumber: MFCD00236222
Smiles: O=Cc1cccc(c1)OC(F)F
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB47738
ChemicalName:
3-(Difluoromethoxy)benzaldehyde
CasNumber:
85684-61-3
MolecularFormula:
C8H6F2O2
MolecularWeight:
172.1288
MdlNumber:
MFCD00236222
Smiles:
O=Cc1cccc(c1)OC(F)F
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AB47739
ChemicalName: 5-bromo-2-chloropyridine-3-carbaldehyde
CasNumber: 228251-24-9
MolecularFormula: C6H3BrClNO
MolecularWeight: 220.4511
MdlNumber: MFCD08689713
Smiles: O=Cc1cc(Br)cnc1Cl
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB47739
ChemicalName:
5-bromo-2-chloropyridine-3-carbaldehyde
CasNumber:
228251-24-9
MolecularFormula:
C6H3BrClNO
MolecularWeight:
220.4511
MdlNumber:
MFCD08689713
Smiles:
O=Cc1cc(Br)cnc1Cl
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB47740
ChemicalName: Tideglusib
CasNumber: 865854-05-3
MolecularFormula: C19H14N2O2S
MolecularWeight: 334.3917
MdlNumber: MFCD18633296
Smiles: O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AB47740
ChemicalName:
Tideglusib
CasNumber:
865854-05-3
MolecularFormula:
C19H14N2O2S
MolecularWeight:
334.3917
MdlNumber:
MFCD18633296
Smiles:
O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4.3
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Smiles: NCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCN)N
Complexity: __
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Smiles:
NCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCN)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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