AA57066
1381944-55-3 | 5-Bromo-2-ethoxy-3-methylaniline
Manufacturer: A2B Chem
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CatalogNumber
AA57066
ChemicalName
5-Bromo-2-ethoxy-3-methylaniline
CasNumber
1381944-55-3
MolecularFormula
C9H12BrNO
MolecularWeight
230.1017
MdlNumber
MFCD22375005
Smiles
CCOc1c(C)cc(cc1N)Br
Complexity
143
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AA57066
ChemicalName: 5-Bromo-2-ethoxy-3-methylaniline
CasNumber: 1381944-55-3
MolecularFormula: C9H12BrNO
MolecularWeight: 230.1017
MdlNumber: MFCD22375005
Smiles: CCOc1c(C)cc(cc1N)Br
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA57066
ChemicalName:
5-Bromo-2-ethoxy-3-methylaniline
CasNumber:
1381944-55-3
MolecularFormula:
C9H12BrNO
MolecularWeight:
230.1017
MdlNumber:
MFCD22375005
Smiles:
CCOc1c(C)cc(cc1N)Br
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AA57067
ChemicalName: 4-(2-Chloro-5-methylphenyl)-2-fluorobenzonitrile
CasNumber: 1381944-54-2
MolecularFormula: C14H9ClFN
MolecularWeight: 245.6794
MdlNumber: MFCD22375081
Smiles: N#Cc1ccc(cc1F)c1cc(C)ccc1Cl
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AA57067
ChemicalName:
4-(2-Chloro-5-methylphenyl)-2-fluorobenzonitrile
CasNumber:
1381944-54-2
MolecularFormula:
C14H9ClFN
MolecularWeight:
245.6794
MdlNumber:
MFCD22375081
Smiles:
N#Cc1ccc(cc1F)c1cc(C)ccc1Cl
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.4
CatalogNumber: AA57068
ChemicalName: Methyl 3-(4-Cbz-aminophenyl)-4-fluorobenzoate
CasNumber: 1381944-53-1
MolecularFormula: C22H18FNO4
MolecularWeight: 379.381
MdlNumber: MFCD22375074
Smiles: COC(=O)c1ccc(c(c1)c1ccc(cc1)NC(=O)OCc1ccccc1)F
Complexity: 515
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 4.6
CatalogNumber:
AA57068
ChemicalName:
Methyl 3-(4-Cbz-aminophenyl)-4-fluorobenzoate
CasNumber:
1381944-53-1
MolecularFormula:
C22H18FNO4
MolecularWeight:
379.381
MdlNumber:
MFCD22375074
Smiles:
COC(=O)c1ccc(c(c1)c1ccc(cc1)NC(=O)OCc1ccccc1)F
Complexity:
515
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
4.6
CatalogNumber: AA57069
ChemicalName: Methyl 3-(4-cyano-3-fluorophenyl)benzoate
CasNumber: 1381944-52-0
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD22375062
Smiles: COC(=O)c1cccc(c1)c1ccc(c(c1)F)C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA57069
ChemicalName:
Methyl 3-(4-cyano-3-fluorophenyl)benzoate
CasNumber:
1381944-52-0
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD22375062
Smiles:
COC(=O)c1cccc(c1)c1ccc(c(c1)F)C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.2