AB58790
440102-32-9 | 2-(2-Hydroxyethylamino)nicotinonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB58790
ChemicalName
2-(2-Hydroxyethylamino)nicotinonitrile
CasNumber
440102-32-9
MolecularFormula
C8H9N3O
MolecularWeight
163.1766
MdlNumber
MFCD06796285
Smiles
OCCNc1ncccc1C#N
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB58790
ChemicalName: 2-(2-Hydroxyethylamino)nicotinonitrile
CasNumber: 440102-32-9
MolecularFormula: C8H9N3O
MolecularWeight: 163.1766
MdlNumber: MFCD06796285
Smiles: OCCNc1ncccc1C#N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB58790
ChemicalName:
2-(2-Hydroxyethylamino)nicotinonitrile
CasNumber:
440102-32-9
MolecularFormula:
C8H9N3O
MolecularWeight:
163.1766
MdlNumber:
MFCD06796285
Smiles:
OCCNc1ncccc1C#N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB58791
ChemicalName: 2-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
CasNumber: 849062-07-3
MolecularFormula: C14H12BF3O4
MolecularWeight: 312.0489
MdlNumber: MFCD07369751
Smiles: OB(c1ccccc1COc1ccc(cc1)OC(F)(F)F)O
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB58791
ChemicalName:
2-((4'-(Trifluoromethoxy)phenoxy)methyl)phenylboronic acid
CasNumber:
849062-07-3
MolecularFormula:
C14H12BF3O4
MolecularWeight:
312.0489
MdlNumber:
MFCD07369751
Smiles:
OB(c1ccccc1COc1ccc(cc1)OC(F)(F)F)O
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CSc1ccc(cc1)Cl
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CSc1ccc(cc1)Cl
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB58793
ChemicalName: Fmoc-suberol
CasNumber: 212783-75-0
MolecularFormula: C23H24O5
MolecularWeight: 380.4337
MdlNumber: MFCD07783960
Smiles: O=CCCCCCC(C(=O)OCC1c2ccccc2-c2c1cccc2)C(=O)O
Complexity: 811
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 6.1
CatalogNumber:
AB58793
ChemicalName:
Fmoc-suberol
CasNumber:
212783-75-0
MolecularFormula:
C23H24O5
MolecularWeight:
380.4337
MdlNumber:
MFCD07783960
Smiles:
O=CCCCCCC(C(=O)OCC1c2ccccc2-c2c1cccc2)C(=O)O
Complexity:
811
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
6.1