AB48989
5323-65-9 | 2-Chloro-4-(2-methylbutan-2-yl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AB48989
ChemicalName
2-Chloro-4-(2-methylbutan-2-yl)phenol
CasNumber
5323-65-9
MolecularFormula
C11H15ClO
MolecularWeight
198.6892
MdlNumber
MFCD00019993
Smiles
CCC(c1ccc(c(c1)Cl)O)(C)C
NscNumber
2795
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AB48989
ChemicalName: 2-Chloro-4-(2-methylbutan-2-yl)phenol
CasNumber: 5323-65-9
MolecularFormula: C11H15ClO
MolecularWeight: 198.6892
MdlNumber: MFCD00019993
Smiles: CCC(c1ccc(c(c1)Cl)O)(C)C
NscNumber: 2795
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AB48989
ChemicalName:
2-Chloro-4-(2-methylbutan-2-yl)phenol
CasNumber:
5323-65-9
MolecularFormula:
C11H15ClO
MolecularWeight:
198.6892
MdlNumber:
MFCD00019993
Smiles:
CCC(c1ccc(c(c1)Cl)O)(C)C
NscNumber:
2795
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 263
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ccc(cc1c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
263
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](Oc2cc3CC[C@@H](c4c(-c3c(c2OC)OC)ccc(c(=O)c4)SC)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](Oc2cc3CC[C@@H](c4c(-c3c(c2OC)OC)ccc(c(=O)c4)SC)NC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)NCOC1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)NCOC1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__