AB54394
621-56-7 | 3-(Diethylamino)-1,2-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AB54394
ChemicalName
3-(Diethylamino)-1,2-propanediol
CasNumber
621-56-7
MolecularFormula
C7H17NO2
MolecularWeight
147.2154
MdlNumber
MFCD00004716
Smiles
OCC(CN(CC)CC)O
NscNumber
97206
Complexity
74
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AB54394
ChemicalName: 3-(Diethylamino)-1,2-propanediol
CasNumber: 621-56-7
MolecularFormula: C7H17NO2
MolecularWeight: 147.2154
MdlNumber: MFCD00004716
Smiles: OCC(CN(CC)CC)O
NscNumber: 97206
Complexity: 74
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AB54394
ChemicalName:
3-(Diethylamino)-1,2-propanediol
CasNumber:
621-56-7
MolecularFormula:
C7H17NO2
MolecularWeight:
147.2154
MdlNumber:
MFCD00004716
Smiles:
OCC(CN(CC)CC)O
NscNumber:
97206
Complexity:
74
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1cccc(c1)C(=O)O)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1cccc(c1)C(=O)O)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB54396
ChemicalName: 3-(Trifluoromethoxy)benzaldehyde
CasNumber: 52771-21-8
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00042406
Smiles: O=Cc1cccc(c1)OC(F)(F)F
NscNumber: __
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AB54396
ChemicalName:
3-(Trifluoromethoxy)benzaldehyde
CasNumber:
52771-21-8
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00042406
Smiles:
O=Cc1cccc(c1)OC(F)(F)F
NscNumber:
__
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: AB54397
ChemicalName: 3-(Trifluoromethoxy)benzenesulfonyl chloride
CasNumber: 220227-84-9
MolecularFormula: C7H4ClF3O3S
MolecularWeight: 260.61806960000007
MdlNumber: MFCD01091016
Smiles: FC(Oc1cccc(c1)S(=O)(=O)Cl)(F)F
NscNumber: __
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AB54397
ChemicalName:
3-(Trifluoromethoxy)benzenesulfonyl chloride
CasNumber:
220227-84-9
MolecularFormula:
C7H4ClF3O3S
MolecularWeight:
260.61806960000007
MdlNumber:
MFCD01091016
Smiles:
FC(Oc1cccc(c1)S(=O)(=O)Cl)(F)F
NscNumber:
__
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9