AG33037
51171-71-2 | 4-Phenylcyclohex-3-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AG33037
ChemicalName
4-Phenylcyclohex-3-en-1-one
CasNumber
51171-71-2
MolecularFormula
C12H12O
MolecularWeight
172.2231
MdlNumber
MFCD17015556
Smiles
O=C1CCC(=CC1)c1ccccc1
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AG33037
ChemicalName: 4-Phenylcyclohex-3-en-1-one
CasNumber: 51171-71-2
MolecularFormula: C12H12O
MolecularWeight: 172.2231
MdlNumber: MFCD17015556
Smiles: O=C1CCC(=CC1)c1ccccc1
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AG33037
ChemicalName:
4-Phenylcyclohex-3-en-1-one
CasNumber:
51171-71-2
MolecularFormula:
C12H12O
MolecularWeight:
172.2231
MdlNumber:
MFCD17015556
Smiles:
O=C1CCC(=CC1)c1ccccc1
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AG33038
ChemicalName: 5-(Trifluoromethyl)-2,1,3-benzoxadiazole
CasNumber: 541539-79-1
MolecularFormula: C7H3F3N2O
MolecularWeight: 188.1067
MdlNumber: MFCD03094538
Smiles: FC(c1ccc2c(c1)non2)(F)F
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AG33038
ChemicalName:
5-(Trifluoromethyl)-2,1,3-benzoxadiazole
CasNumber:
541539-79-1
MolecularFormula:
C7H3F3N2O
MolecularWeight:
188.1067
MdlNumber:
MFCD03094538
Smiles:
FC(c1ccc2c(c1)non2)(F)F
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AG33039
ChemicalName: Methyl 3-amino-4-(butylamino)benzoate
CasNumber: 475489-75-9
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD14621909
Smiles: CCCCNc1ccc(cc1N)C(=O)OC
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AG33039
ChemicalName:
Methyl 3-amino-4-(butylamino)benzoate
CasNumber:
475489-75-9
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD14621909
Smiles:
CCCCNc1ccc(cc1N)C(=O)OC
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.3
CatalogNumber: AG33040
ChemicalName: 1-(Methylamino)cyclopentane-1-carbonitrile
CasNumber: 55793-49-2
MolecularFormula: C7H12N2
MolecularWeight: 124.1836
MdlNumber: MFCD00040167
Smiles: CNC1(CCCC1)C#N
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AG33040
ChemicalName:
1-(Methylamino)cyclopentane-1-carbonitrile
CasNumber:
55793-49-2
MolecularFormula:
C7H12N2
MolecularWeight:
124.1836
MdlNumber:
MFCD00040167
Smiles:
CNC1(CCCC1)C#N
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
0.6