AD72468
1355246-85-3 | 4-Chloro-2-methoxy-1-(3-nitrophenyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD72468
ChemicalName
4-Chloro-2-methoxy-1-(3-nitrophenyl)benzene
CasNumber
1355246-85-3
MolecularFormula
C13H10ClNO3
MolecularWeight
263.6764
MdlNumber
MFCD21332974
Smiles
COc1cc(Cl)ccc1c1cccc(c1)[N+](=O)[O-]
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AD72468
ChemicalName: 4-Chloro-2-methoxy-1-(3-nitrophenyl)benzene
CasNumber: 1355246-85-3
MolecularFormula: C13H10ClNO3
MolecularWeight: 263.6764
MdlNumber: MFCD21332974
Smiles: COc1cc(Cl)ccc1c1cccc(c1)[N+](=O)[O-]
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AD72468
ChemicalName:
4-Chloro-2-methoxy-1-(3-nitrophenyl)benzene
CasNumber:
1355246-85-3
MolecularFormula:
C13H10ClNO3
MolecularWeight:
263.6764
MdlNumber:
MFCD21332974
Smiles:
COc1cc(Cl)ccc1c1cccc(c1)[N+](=O)[O-]
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: AD72469
ChemicalName: 4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene
CasNumber: 1355246-82-0
MolecularFormula: C11H12BrF3O2
MolecularWeight: 313.111
MdlNumber: MFCD21333071
Smiles: CCCCOc1cc(Br)ccc1OC(F)(F)F
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 5
CatalogNumber:
AD72469
ChemicalName:
4-Bromo-2-butoxy-1-(trifluoromethoxy)benzene
CasNumber:
1355246-82-0
MolecularFormula:
C11H12BrF3O2
MolecularWeight:
313.111
MdlNumber:
MFCD21333071
Smiles:
CCCCOc1cc(Br)ccc1OC(F)(F)F
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
5
CatalogNumber: AD72474
ChemicalName: Methyl 5-bromoquinoline-2-carboxylate
CasNumber: 1355174-78-5
MolecularFormula: C11H8BrNO2
MolecularWeight: 266.0907
MdlNumber: MFCD21086458
Smiles: COC(=O)c1ccc2c(n1)cccc2Br
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AD72474
ChemicalName:
Methyl 5-bromoquinoline-2-carboxylate
CasNumber:
1355174-78-5
MolecularFormula:
C11H8BrNO2
MolecularWeight:
266.0907
MdlNumber:
MFCD21086458
Smiles:
COC(=O)c1ccc2c(n1)cccc2Br
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: [Er+3].[H-].[H-].[H-]
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Smiles:
[Er+3].[H-].[H-].[H-]
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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