AI63180
944648-35-5 | 4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI63180
ChemicalName
4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile
CasNumber
944648-35-5
MolecularFormula
C14H10FNO
MolecularWeight
227.2337
MdlNumber
MFCD11096850
Smiles
N#Cc1ccc(cc1)C(c1cccc(c1)F)O
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AI63180
ChemicalName: 4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile
CasNumber: 944648-35-5
MolecularFormula: C14H10FNO
MolecularWeight: 227.2337
MdlNumber: MFCD11096850
Smiles: N#Cc1ccc(cc1)C(c1cccc(c1)F)O
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AI63180
ChemicalName:
4-[(3-Fluorophenyl)(hydroxy)methyl]benzonitrile
CasNumber:
944648-35-5
MolecularFormula:
C14H10FNO
MolecularWeight:
227.2337
MdlNumber:
MFCD11096850
Smiles:
N#Cc1ccc(cc1)C(c1cccc(c1)F)O
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
CatalogNumber: __
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Smiles: Cc1ccc(c(n1)Br)CBr
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
Cc1ccc(c(n1)Br)CBr
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OC(=O)c1c(ccn1CCCl)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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MolecularFormula:
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__
MdlNumber:
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Smiles:
OC(=O)c1c(ccn1CCCl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Brc1ccc2c(n1)CCNC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(n1)CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__