AI45212
22056-04-8 | 2-[(4-Chlorophenyl)(hydroxy)methyl]prop-2-enenitrile
Manufacturer: A2B Chem
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CatalogNumber
AI45212
ChemicalName
2-[(4-Chlorophenyl)(hydroxy)methyl]prop-2-enenitrile
CasNumber
22056-04-8
MolecularFormula
C10H8ClNO
MolecularWeight
193.6296
MdlNumber
MFCD11130359
Smiles
OC(C(=C)C#N)c1ccc(cc1)Cl
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AI45212
ChemicalName: 2-[(4-Chlorophenyl)(hydroxy)methyl]prop-2-enenitrile
CasNumber: 22056-04-8
MolecularFormula: C10H8ClNO
MolecularWeight: 193.6296
MdlNumber: MFCD11130359
Smiles: OC(C(=C)C#N)c1ccc(cc1)Cl
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AI45212
ChemicalName:
2-[(4-Chlorophenyl)(hydroxy)methyl]prop-2-enenitrile
CasNumber:
22056-04-8
MolecularFormula:
C10H8ClNO
MolecularWeight:
193.6296
MdlNumber:
MFCD11130359
Smiles:
OC(C(=C)C#N)c1ccc(cc1)Cl
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
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Smiles: O=C(N1CC2(CC1C2)C(=O)O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
O=C(N1CC2(CC1C2)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Oc1ccc(cc1)c1ccc2c(c1)OCO2
Complexity: __
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MolecularFormula:
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Smiles:
Oc1ccc(cc1)c1ccc2c(c1)OCO2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccccc1)COCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccccc1)COCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__