AB51196
3298-16-6 | 5-Methylpiperidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB51196
ChemicalName
5-Methylpiperidin-2-one
CasNumber
3298-16-6
MolecularFormula
C6H11NO
MolecularWeight
113.1576
MdlNumber
MFCD13178700
Smiles
CC1CCC(=O)NC1
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AB51196
ChemicalName: 5-Methylpiperidin-2-one
CasNumber: 3298-16-6
MolecularFormula: C6H11NO
MolecularWeight: 113.1576
MdlNumber: MFCD13178700
Smiles: CC1CCC(=O)NC1
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AB51196
ChemicalName:
5-Methylpiperidin-2-one
CasNumber:
3298-16-6
MolecularFormula:
C6H11NO
MolecularWeight:
113.1576
MdlNumber:
MFCD13178700
Smiles:
CC1CCC(=O)NC1
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)[nH]cc2
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)[nH]cc2
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)ccnn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)ccnn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB51200
ChemicalName: 2-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber: 328-89-2
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD07368837
Smiles: OC(=O)c1ccc(cc1Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
AB51200
ChemicalName:
2-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber:
328-89-2
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD07368837
Smiles:
OC(=O)c1ccc(cc1Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
4