AA57037
1381944-31-5 | 5-Bromo-2-butoxy-3-nitrotoluene
Manufacturer: A2B Chem
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CatalogNumber
AA57037
ChemicalName
5-Bromo-2-butoxy-3-nitrotoluene
CasNumber
1381944-31-5
MolecularFormula
C11H14BrNO3
MolecularWeight
288.1378
MdlNumber
MFCD22375006
Smiles
CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
4
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CatalogNumber: AA57037
ChemicalName: 5-Bromo-2-butoxy-3-nitrotoluene
CasNumber: 1381944-31-5
MolecularFormula: C11H14BrNO3
MolecularWeight: 288.1378
MdlNumber: MFCD22375006
Smiles: CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 4
CatalogNumber:
AA57037
ChemicalName:
5-Bromo-2-butoxy-3-nitrotoluene
CasNumber:
1381944-31-5
MolecularFormula:
C11H14BrNO3
MolecularWeight:
288.1378
MdlNumber:
MFCD22375006
Smiles:
CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
4
CatalogNumber: AA57038
ChemicalName: 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber: 1381944-30-4
MolecularFormula: C9H5BrF3NO
MolecularWeight: 280.0413
MdlNumber: MFCD22375096
Smiles: N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA57038
ChemicalName:
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber:
1381944-30-4
MolecularFormula:
C9H5BrF3NO
MolecularWeight:
280.0413
MdlNumber:
MFCD22375096
Smiles:
N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AA57039
ChemicalName: 2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber: 1381944-29-1
MolecularFormula: C14H10FNS
MolecularWeight: 243.2993
MdlNumber: MFCD22375070
Smiles: CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA57039
ChemicalName:
2-Fluoro-4-[4-(methylsulfanyl)phenyl]benzonitrile
CasNumber:
1381944-29-1
MolecularFormula:
C14H10FNS
MolecularWeight:
243.2993
MdlNumber:
MFCD22375070
Smiles:
CSc1ccc(cc1)c1ccc(c(c1)F)C#N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.9
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Smiles: COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity: __
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Smiles:
COc1ccc(cc1)c1cccc(c1F)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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