AB53979
84367-31-7 | (R)-4-Chloro-3-hydroxybutyronitrile
Manufacturer: A2B Chem
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CatalogNumber
AB53979
ChemicalName
(R)-4-Chloro-3-hydroxybutyronitrile
CasNumber
84367-31-7
MolecularFormula
C4H6ClNO
MolecularWeight
119.5495
MdlNumber
MFCD00000016
Smiles
O[C@@H](CCl)CC#N
Complexity
84.9
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB53979
ChemicalName: (R)-4-Chloro-3-hydroxybutyronitrile
CasNumber: 84367-31-7
MolecularFormula: C4H6ClNO
MolecularWeight: 119.5495
MdlNumber: MFCD00000016
Smiles: O[C@@H](CCl)CC#N
Complexity: 84.9
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB53979
ChemicalName:
(R)-4-Chloro-3-hydroxybutyronitrile
CasNumber:
84367-31-7
MolecularFormula:
C4H6ClNO
MolecularWeight:
119.5495
MdlNumber:
MFCD00000016
Smiles:
O[C@@H](CCl)CC#N
Complexity:
84.9
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB53980
ChemicalName: (R)-(+)-4-Hydroxy-2-pyrrolidinone
CasNumber: 22677-21-0
MolecularFormula: C4H7NO2
MolecularWeight: 101.1039
MdlNumber: MFCD00273364
Smiles: O[C@@H]1CC(=O)NC1
Complexity: 91.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -1.4
CatalogNumber:
AB53980
ChemicalName:
(R)-(+)-4-Hydroxy-2-pyrrolidinone
CasNumber:
22677-21-0
MolecularFormula:
C4H7NO2
MolecularWeight:
101.1039
MdlNumber:
MFCD00273364
Smiles:
O[C@@H]1CC(=O)NC1
Complexity:
91.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-1.4
CatalogNumber: AB53981
ChemicalName: (R)-5-Bromomethyl-2-pyrrolidinone
CasNumber: 98612-60-3
MolecularFormula: C5H8BrNO
MolecularWeight: 178.02712
MdlNumber: MFCD06799465
Smiles: BrC[C@H]1CCC(=O)N1
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB53981
ChemicalName:
(R)-5-Bromomethyl-2-pyrrolidinone
CasNumber:
98612-60-3
MolecularFormula:
C5H8BrNO
MolecularWeight:
178.02712
MdlNumber:
MFCD06799465
Smiles:
BrC[C@H]1CCC(=O)N1
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1c(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__