AA43313
127913-44-4 | (S)-4-Chloro-3-hydroxybutyronitrile
Manufacturer: A2B Chem
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CatalogNumber
AA43313
ChemicalName
(S)-4-Chloro-3-hydroxybutyronitrile
CasNumber
127913-44-4
MolecularFormula
C4H6ClNO
MolecularWeight
119.5495
MdlNumber
MFCD00273363
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: AA43313
ChemicalName: (S)-4-Chloro-3-hydroxybutyronitrile
CasNumber: 127913-44-4
MolecularFormula: C4H6ClNO
MolecularWeight: 119.5495
MdlNumber: MFCD00273363
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:
AA43313
ChemicalName:
(S)-4-Chloro-3-hydroxybutyronitrile
CasNumber:
127913-44-4
MolecularFormula:
C4H6ClNO
MolecularWeight:
119.5495
MdlNumber:
MFCD00273363
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: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@H](C(C)(C)C)c1cccc(n1)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@H](C(C)(C)C)c1cccc(n1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc(nc1CC)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc(nc1CC)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc(nc1CCC)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc(nc1CCC)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__