AI54334
64407-07-4 | 3-Cyanobenzyl chloride
Manufacturer: A2B Chem
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CatalogNumber
AI54334
ChemicalName
3-Cyanobenzyl chloride
CasNumber
64407-07-4
MolecularFormula
C8H6ClN
MolecularWeight
151.59293999999997
MdlNumber
MFCD02684191
Smiles
ClCc1cccc(c1)C#N
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AI54334
ChemicalName: 3-Cyanobenzyl chloride
CasNumber: 64407-07-4
MolecularFormula: C8H6ClN
MolecularWeight: 151.59293999999997
MdlNumber: MFCD02684191
Smiles: ClCc1cccc(c1)C#N
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI54334
ChemicalName:
3-Cyanobenzyl chloride
CasNumber:
64407-07-4
MolecularFormula:
C8H6ClN
MolecularWeight:
151.59293999999997
MdlNumber:
MFCD02684191
Smiles:
ClCc1cccc(c1)C#N
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: N#Cc1ccc(cc1)c1ccc(cc1)S
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1ccc(cc1)c1ccc(cc1)S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)N.[Li]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)[O-])O[C@H]([C@@H]1O)[n+]1cccc(c1)C(=O)N.[Li]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OCC(NCCCNC(CO)(CO)CO)(CO)CO
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OCC(NCCCNC(CO)(CO)CO)(CO)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__