AB56960
2216-84-4 | 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56960
ChemicalName
1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
CasNumber
2216-84-4
MolecularFormula
C12H12O12
MolecularWeight
348.2165
MdlNumber
MFCD00081090
Smiles
OC(=O)C1C(C(=O)O)C(C(=O)O)C(C(C1C(=O)O)C(=O)O)C(=O)O
Complexity
470
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
6
RotatableBondCount
6
Xlogp3
-2.8
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CatalogNumber: AB56960
ChemicalName: 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
CasNumber: 2216-84-4
MolecularFormula: C12H12O12
MolecularWeight: 348.2165
MdlNumber: MFCD00081090
Smiles: OC(=O)C1C(C(=O)O)C(C(=O)O)C(C(C1C(=O)O)C(=O)O)C(=O)O
Complexity: 470
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 6
RotatableBondCount: 6
Xlogp3: -2.8
CatalogNumber:
AB56960
ChemicalName:
1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
CasNumber:
2216-84-4
MolecularFormula:
C12H12O12
MolecularWeight:
348.2165
MdlNumber:
MFCD00081090
Smiles:
OC(=O)C1C(C(=O)O)C(C(=O)O)C(C(C1C(=O)O)C(=O)O)C(=O)O
Complexity:
470
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
6
RotatableBondCount:
6
Xlogp3:
-2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrC1C(Br)C(Br)C(C(C1Br)Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrC1C(Br)C(Br)C(C(C1Br)Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB56962
ChemicalName: Octafluorotoluene
CasNumber: 434-64-0
MolecularFormula: C7F8
MolecularWeight: 236.0621255999999
MdlNumber: MFCD00000375
Smiles: Fc1c(F)c(F)c(c(c1F)C(F)(F)F)F
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
AB56962
ChemicalName:
Octafluorotoluene
CasNumber:
434-64-0
MolecularFormula:
C7F8
MolecularWeight:
236.0621255999999
MdlNumber:
MFCD00000375
Smiles:
Fc1c(F)c(F)c(c(c1F)C(F)(F)F)F
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: AB56963
ChemicalName: Iodopentafluorobenzene
CasNumber: 827-15-6
MolecularFormula: C6F5I
MolecularWeight: 293.96068599999995
MdlNumber: MFCD00001032
Smiles: Fc1c(F)c(F)c(c(c1F)I)F
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AB56963
ChemicalName:
Iodopentafluorobenzene
CasNumber:
827-15-6
MolecularFormula:
C6F5I
MolecularWeight:
293.96068599999995
MdlNumber:
MFCD00001032
Smiles:
Fc1c(F)c(F)c(c(c1F)I)F
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1