AA99396
1767-46-0 | (S)-(+)-4-Methyl-1-hexanol
Manufacturer: A2B Chem
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CatalogNumber
AA99396
ChemicalName
(S)-(+)-4-Methyl-1-hexanol
CasNumber
1767-46-0
MolecularFormula
C7H16O
MolecularWeight
116.2013
MdlNumber
MFCD00221492
Smiles
OCCC[C@H](CC)C
Complexity
43.7
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AA99396
ChemicalName: (S)-(+)-4-Methyl-1-hexanol
CasNumber: 1767-46-0
MolecularFormula: C7H16O
MolecularWeight: 116.2013
MdlNumber: MFCD00221492
Smiles: OCCC[C@H](CC)C
Complexity: 43.7
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AA99396
ChemicalName:
(S)-(+)-4-Methyl-1-hexanol
CasNumber:
1767-46-0
MolecularFormula:
C7H16O
MolecularWeight:
116.2013
MdlNumber:
MFCD00221492
Smiles:
OCCC[C@H](CC)C
Complexity:
43.7
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc2c(c1)[nH]c(n2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc2c(c1)[nH]c(n2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA99401
ChemicalName: 6-Bromo-2-trifluoromethylquinoline
CasNumber: 176722-64-8
MolecularFormula: C10H5BrF3N
MolecularWeight: 276.0526
MdlNumber: MFCD08166328
Smiles: Brc1ccc2c(c1)ccc(n2)C(F)(F)F
Complexity: 231
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
AA99401
ChemicalName:
6-Bromo-2-trifluoromethylquinoline
CasNumber:
176722-64-8
MolecularFormula:
C10H5BrF3N
MolecularWeight:
276.0526
MdlNumber:
MFCD08166328
Smiles:
Brc1ccc2c(c1)ccc(n2)C(F)(F)F
Complexity:
231
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8