AD72623
1352318-54-7 | 3-(4-Nitrophenyl)benzonitrile
Manufacturer: A2B Chem
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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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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)c1ccc(cc1)OC1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ccc(cc1)c1ccc(cc1)OC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCOc1c(F)cccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COCCOc1c(F)cccc1OC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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CatalogNumber: AD72626
ChemicalName: 2-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber: 1352318-35-4
MolecularFormula: C13H7ClFN
MolecularWeight: 231.6528
MdlNumber: MFCD20529504
Smiles: N#Cc1ccccc1c1ccc(c(c1)Cl)F
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AD72626
ChemicalName:
2-(3-Chloro-4-fluorophenyl)benzonitrile
CasNumber:
1352318-35-4
MolecularFormula:
C13H7ClFN
MolecularWeight:
231.6528
MdlNumber:
MFCD20529504
Smiles:
N#Cc1ccccc1c1ccc(c(c1)Cl)F
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
4.4