AG67323
570-05-8 | 2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrole
Manufacturer: A2B Chem
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CatalogNumber
AG67323
ChemicalName
2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrole
CasNumber
570-05-8
MolecularFormula
C13H12F3N
MolecularWeight
239.2363
MdlNumber
MFCD00085042
Smiles
FC(c1ccc(cc1)n1c(C)ccc1C)(F)F
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
4
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CatalogNumber: AG67323
ChemicalName: 2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrole
CasNumber: 570-05-8
MolecularFormula: C13H12F3N
MolecularWeight: 239.2363
MdlNumber: MFCD00085042
Smiles: FC(c1ccc(cc1)n1c(C)ccc1C)(F)F
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AG67323
ChemicalName:
2,5-Dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrole
CasNumber:
570-05-8
MolecularFormula:
C13H12F3N
MolecularWeight:
239.2363
MdlNumber:
MFCD00085042
Smiles:
FC(c1ccc(cc1)n1c(C)ccc1C)(F)F
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1cc(ccc1n1cnc(c1Cl)Cl)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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__
MolecularWeight:
__
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Smiles:
[O-][N+](=O)c1cc(ccc1n1cnc(c1Cl)Cl)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C(C2=C(C=C1)C(=C(C=C2)C(=O)OC)Br)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=C(C2=C(C=C1)C(=C(C=C2)C(=O)OC)Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__