AG32802
460748-08-7 | 4-(4-Cyanophenyl)-2-methylphenol
Manufacturer: A2B Chem
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CatalogNumber
AG32802
ChemicalName
4-(4-Cyanophenyl)-2-methylphenol
CasNumber
460748-08-7
MolecularFormula
C14H11NO
MolecularWeight
209.2432
MdlNumber
MFCD17677586
Smiles
N#Cc1ccc(cc1)c1ccc(c(c1)C)O
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AG32802
ChemicalName: 4-(4-Cyanophenyl)-2-methylphenol
CasNumber: 460748-08-7
MolecularFormula: C14H11NO
MolecularWeight: 209.2432
MdlNumber: MFCD17677586
Smiles: N#Cc1ccc(cc1)c1ccc(c(c1)C)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AG32802
ChemicalName:
4-(4-Cyanophenyl)-2-methylphenol
CasNumber:
460748-08-7
MolecularFormula:
C14H11NO
MolecularWeight:
209.2432
MdlNumber:
MFCD17677586
Smiles:
N#Cc1ccc(cc1)c1ccc(c(c1)C)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: AG32803
ChemicalName: 4-(BOC-Amino)-1-isopropylpiperidine
CasNumber: 534595-37-4
MolecularFormula: C13H26N2O2
MolecularWeight: 242.3577
MdlNumber: MFCD09028114
Smiles: O=C(OC(C)(C)C)NC1CCN(CC1)C(C)C
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AG32803
ChemicalName:
4-(BOC-Amino)-1-isopropylpiperidine
CasNumber:
534595-37-4
MolecularFormula:
C13H26N2O2
MolecularWeight:
242.3577
MdlNumber:
MFCD09028114
Smiles:
O=C(OC(C)(C)C)NC1CCN(CC1)C(C)C
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AG32804
ChemicalName: 1,2-Dimethyl 4-aminophthalate
CasNumber: 51832-31-6
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD00017197
Smiles: COC(=O)c1cc(N)ccc1C(=O)OC
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AG32804
ChemicalName:
1,2-Dimethyl 4-aminophthalate
CasNumber:
51832-31-6
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD00017197
Smiles:
COC(=O)c1cc(N)ccc1C(=O)OC
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(n1C1CC1)C
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(n1C1CC1)C
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9