AB47481
214557-89-8 | 3,5,7-Trifluoroadamantane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47481
ChemicalName
3,5,7-Trifluoroadamantane-1-carboxylic acid
CasNumber
214557-89-8
MolecularFormula
C11H13F3O2
MolecularWeight
234.2149
MdlNumber
MFCD17215150
Smiles
OC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB47481
ChemicalName: 3,5,7-Trifluoroadamantane-1-carboxylic acid
CasNumber: 214557-89-8
MolecularFormula: C11H13F3O2
MolecularWeight: 234.2149
MdlNumber: MFCD17215150
Smiles: OC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB47481
ChemicalName:
3,5,7-Trifluoroadamantane-1-carboxylic acid
CasNumber:
214557-89-8
MolecularFormula:
C11H13F3O2
MolecularWeight:
234.2149
MdlNumber:
MFCD17215150
Smiles:
OC(=O)C12CC3(F)CC(C2)(CC(C1)(C3)F)F
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AB47482
ChemicalName: Agmatine dihydrochloride
CasNumber: 334-18-9
MolecularFormula: C5H16Cl2N4
MolecularWeight: 203.1133
MdlNumber: MFCD11053502
Smiles: NCCCCNC(=N)N.Cl.Cl
Complexity: 85
Covalently-bondedUnitCount: 3
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB47482
ChemicalName:
Agmatine dihydrochloride
CasNumber:
334-18-9
MolecularFormula:
C5H16Cl2N4
MolecularWeight:
203.1133
MdlNumber:
MFCD11053502
Smiles:
NCCCCNC(=N)N.Cl.Cl
Complexity:
85
Covalently-bondedUnitCount:
3
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47484
ChemicalName: 8-Oxa-3-azabicyclo[3.2.1]octane, HCl
CasNumber: 54745-74-3
MolecularFormula: C6H12ClNO
MolecularWeight: 149.6186
MdlNumber: MFCD17926456
Smiles: N1CC2CCC(C1)O2.Cl
Complexity: 84.5
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB47484
ChemicalName:
8-Oxa-3-azabicyclo[3.2.1]octane, HCl
CasNumber:
54745-74-3
MolecularFormula:
C6H12ClNO
MolecularWeight:
149.6186
MdlNumber:
MFCD17926456
Smiles:
N1CC2CCC(C1)O2.Cl
Complexity:
84.5
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__