AA94965
17610-00-3 | 3,5-Bis(tert-butyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA94965
ChemicalName
3,5-Bis(tert-butyl)benzaldehyde
CasNumber
17610-00-3
MolecularFormula
C15H22O
MolecularWeight
218.3346
MdlNumber
MFCD00026298
Smiles
O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
4.7
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CatalogNumber: AA94965
ChemicalName: 3,5-Bis(tert-butyl)benzaldehyde
CasNumber: 17610-00-3
MolecularFormula: C15H22O
MolecularWeight: 218.3346
MdlNumber: MFCD00026298
Smiles: O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 4.7
CatalogNumber:
AA94965
ChemicalName:
3,5-Bis(tert-butyl)benzaldehyde
CasNumber:
17610-00-3
MolecularFormula:
C15H22O
MolecularWeight:
218.3346
MdlNumber:
MFCD00026298
Smiles:
O=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(c1ccc(cc1)O)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1ccc(cc1)O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA94968
ChemicalName: 4-Amino-3-chlorophenol
CasNumber: 17609-80-2
MolecularFormula: C6H6ClNO
MolecularWeight: 143.5709
MdlNumber: MFCD00801116
Smiles: Oc1ccc(c(c1)Cl)N
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AA94968
ChemicalName:
4-Amino-3-chlorophenol
CasNumber:
17609-80-2
MolecularFormula:
C6H6ClNO
MolecularWeight:
143.5709
MdlNumber:
MFCD00801116
Smiles:
Oc1ccc(c(c1)Cl)N
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: AA94969
ChemicalName: Z-D-Phg-OH
CasNumber: 17609-52-8
MolecularFormula: C16H15NO4
MolecularWeight: 285.29460000000006
MdlNumber: MFCD00021703
Smiles: O=C(N[C@H](c1ccccc1)C(=O)O)OCc1ccccc1
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.7
CatalogNumber:
AA94969
ChemicalName:
Z-D-Phg-OH
CasNumber:
17609-52-8
MolecularFormula:
C16H15NO4
MolecularWeight:
285.29460000000006
MdlNumber:
MFCD00021703
Smiles:
O=C(N[C@H](c1ccccc1)C(=O)O)OCc1ccccc1
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.7