AD72622
1352318-57-0 | 2-(3,5-Dichlorophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD72622
ChemicalName
2-(3,5-Dichlorophenyl)benzonitrile
CasNumber
1352318-57-0
MolecularFormula
C13H7Cl2N
MolecularWeight
248.1074
MdlNumber
MFCD20529473
Smiles
N#Cc1ccccc1c1cc(Cl)cc(c1)Cl
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
4.5
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CatalogNumber: AD72622
ChemicalName: 2-(3,5-Dichlorophenyl)benzonitrile
CasNumber: 1352318-57-0
MolecularFormula: C13H7Cl2N
MolecularWeight: 248.1074
MdlNumber: MFCD20529473
Smiles: N#Cc1ccccc1c1cc(Cl)cc(c1)Cl
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 4.5
CatalogNumber:
AD72622
ChemicalName:
2-(3,5-Dichlorophenyl)benzonitrile
CasNumber:
1352318-57-0
MolecularFormula:
C13H7Cl2N
MolecularWeight:
248.1074
MdlNumber:
MFCD20529473
Smiles:
N#Cc1ccccc1c1cc(Cl)cc(c1)Cl
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
4.5
CatalogNumber: AD72623
ChemicalName: 3-(4-Nitrophenyl)benzonitrile
CasNumber: 1352318-54-7
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD20529496
Smiles: N#Cc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AD72623
ChemicalName:
3-(4-Nitrophenyl)benzonitrile
CasNumber:
1352318-54-7
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD20529496
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.6
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Smiles: Brc1ccc(cc1)c1ccc(cc1)OC1CCCC1
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Brc1ccc(cc1)c1ccc(cc1)OC1CCCC1
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Smiles: COCCOc1c(F)cccc1OC
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Smiles:
COCCOc1c(F)cccc1OC
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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