AB44694
69088-96-6 | 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AB44694
ChemicalName
4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
CasNumber
69088-96-6
MolecularFormula
C11H13NO
MolecularWeight
175.227
MdlNumber
MFCD06200785
Smiles
Nc1cccc(c1)C#CC(O)(C)C
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB44694
ChemicalName: 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
CasNumber: 69088-96-6
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD06200785
Smiles: Nc1cccc(c1)C#CC(O)(C)C
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB44694
ChemicalName:
4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol
CasNumber:
69088-96-6
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD06200785
Smiles:
Nc1cccc(c1)C#CC(O)(C)C
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][n+]1ccc(cc1)CCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][n+]1ccc(cc1)CCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44696
ChemicalName: 4-Aminophenylboronic acid, pinacol ester
CasNumber: 214360-73-3
MolecularFormula: C12H18BNO2
MolecularWeight: 219.0878
MdlNumber: MFCD02093721
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)N
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44696
ChemicalName:
4-Aminophenylboronic acid, pinacol ester
CasNumber:
214360-73-3
MolecularFormula:
C12H18BNO2
MolecularWeight:
219.0878
MdlNumber:
MFCD02093721
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB44697
ChemicalName: 4-Isoxazoleboronic acid pinacol ester
CasNumber: 928664-98-6
MolecularFormula: C9H14BNO3
MolecularWeight: 195.0234
MdlNumber: MFCD06657891
Smiles: CC1(C)OB(OC1(C)C)c1conc1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44697
ChemicalName:
4-Isoxazoleboronic acid pinacol ester
CasNumber:
928664-98-6
MolecularFormula:
C9H14BNO3
MolecularWeight:
195.0234
MdlNumber:
MFCD06657891
Smiles:
CC1(C)OB(OC1(C)C)c1conc1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__