AB45290
1119-46-6 | 5-Chlorovaleric acid
Manufacturer: A2B Chem
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CatalogNumber
AB45290
ChemicalName
5-Chlorovaleric acid
CasNumber
1119-46-6
MolecularFormula
C5H9ClO2
MolecularWeight
136.5768
MdlNumber
MFCD00004415
Smiles
ClCCCCC(=O)O
Complexity
72.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AB45290
ChemicalName: 5-Chlorovaleric acid
CasNumber: 1119-46-6
MolecularFormula: C5H9ClO2
MolecularWeight: 136.5768
MdlNumber: MFCD00004415
Smiles: ClCCCCC(=O)O
Complexity: 72.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AB45290
ChemicalName:
5-Chlorovaleric acid
CasNumber:
1119-46-6
MolecularFormula:
C5H9ClO2
MolecularWeight:
136.5768
MdlNumber:
MFCD00004415
Smiles:
ClCCCCC(=O)O
Complexity:
72.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: AB45291
ChemicalName: 5-Cyano-2-fluoropyridine
CasNumber: 3939-12-6
MolecularFormula: C6H3FN2
MolecularWeight: 122.0998232
MdlNumber: MFCD09261087
Smiles: N#Cc1ccc(nc1)F
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1
CatalogNumber:
AB45291
ChemicalName:
5-Cyano-2-fluoropyridine
CasNumber:
3939-12-6
MolecularFormula:
C6H3FN2
MolecularWeight:
122.0998232
MdlNumber:
MFCD09261087
Smiles:
N#Cc1ccc(nc1)F
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(nc1=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(F)c(nc1=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB45293
ChemicalName: 5-Ethyl-2-pyridineethanol
CasNumber: 5223-06-3
MolecularFormula: C9H13NO
MolecularWeight: 151.2056
MdlNumber: MFCD00129040
Smiles: OCCc1ccc(cn1)CC
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AB45293
ChemicalName:
5-Ethyl-2-pyridineethanol
CasNumber:
5223-06-3
MolecularFormula:
C9H13NO
MolecularWeight:
151.2056
MdlNumber:
MFCD00129040
Smiles:
OCCc1ccc(cn1)CC
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3