AB84945
893734-52-6 | 4-(3-Fluorophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB84945
ChemicalName
4-(3-Fluorophenyl)benzonitrile
CasNumber
893734-52-6
MolecularFormula
C13H8FN
MolecularWeight
197.2077
MdlNumber
MFCD05981077
Smiles
N#Cc1ccc(cc1)c1cccc(c1)F
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.4
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CatalogNumber: AB84945
ChemicalName: 4-(3-Fluorophenyl)benzonitrile
CasNumber: 893734-52-6
MolecularFormula: C13H8FN
MolecularWeight: 197.2077
MdlNumber: MFCD05981077
Smiles: N#Cc1ccc(cc1)c1cccc(c1)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AB84945
ChemicalName:
4-(3-Fluorophenyl)benzonitrile
CasNumber:
893734-52-6
MolecularFormula:
C13H8FN
MolecularWeight:
197.2077
MdlNumber:
MFCD05981077
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.4
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Smiles: Oc1ccc(cn1)c1ccc(o1)C(=O)O
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HydrogenBondAcceptorCount: __
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Smiles:
Oc1ccc(cn1)c1ccc(o1)C(=O)O
Complexity:
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__
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RotatableBondCount:
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Smiles: NCc1nccn1CC
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Smiles:
NCc1nccn1CC
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC(c1cc(cc(c1)C(C)(C)C)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C=C3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CC(c1cc(cc(c1)C(C)(C)C)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C=C3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__