AC36589
813-99-0 | 3-Chloro-2,2-bis(chloromethyl)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AC36589
ChemicalName
3-Chloro-2,2-bis(chloromethyl)propan-1-ol
CasNumber
813-99-0
MolecularFormula
C5H9Cl3O
MolecularWeight
191.4834
MdlNumber
MFCD00087386
Smiles
OCC(CCl)(CCl)CCl
Complexity
64.3
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AC36589
ChemicalName: 3-Chloro-2,2-bis(chloromethyl)propan-1-ol
CasNumber: 813-99-0
MolecularFormula: C5H9Cl3O
MolecularWeight: 191.4834
MdlNumber: MFCD00087386
Smiles: OCC(CCl)(CCl)CCl
Complexity: 64.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AC36589
ChemicalName:
3-Chloro-2,2-bis(chloromethyl)propan-1-ol
CasNumber:
813-99-0
MolecularFormula:
C5H9Cl3O
MolecularWeight:
191.4834
MdlNumber:
MFCD00087386
Smiles:
OCC(CCl)(CCl)CCl
Complexity:
64.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)C1=C(O)c2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)C1=C(O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COP(=O)(OC)O
Complexity: 81.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COP(=O)(OC)O
Complexity:
81.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(-c3c4ccccc4cc4c3c(O2)ccc4C)c1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(-c3c4ccccc4cc4c3c(O2)ccc4C)c1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__