AB53941
54708-14-4 | 2,6-Dimethylphenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB53941
ChemicalName
2,6-Dimethylphenylacetonitrile
CasNumber
54708-14-4
MolecularFormula
C10H11N
MolecularWeight
145.201
MdlNumber
MFCD00060300
Smiles
N#CCc1c(C)cccc1C
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AB53941
ChemicalName: 2,6-Dimethylphenylacetonitrile
CasNumber: 54708-14-4
MolecularFormula: C10H11N
MolecularWeight: 145.201
MdlNumber: MFCD00060300
Smiles: N#CCc1c(C)cccc1C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB53941
ChemicalName:
2,6-Dimethylphenylacetonitrile
CasNumber:
54708-14-4
MolecularFormula:
C10H11N
MolecularWeight:
145.201
MdlNumber:
MFCD00060300
Smiles:
N#CCc1c(C)cccc1C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AB53942
ChemicalName: Methyl 3-fluorophenylacetate
CasNumber: 64123-77-9
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD18909332
Smiles: COC(=O)Cc1cccc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB53942
ChemicalName:
Methyl 3-fluorophenylacetate
CasNumber:
64123-77-9
MolecularFormula:
C9H9FO2
MolecularWeight:
168.165
MdlNumber:
MFCD18909332
Smiles:
COC(=O)Cc1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCN[C@H](C(=O)Nc1c(C)csc1C(=O)OC)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCN[C@H](C(=O)Nc1c(C)csc1C(=O)OC)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)O)NC
Complexity: 72.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)O)NC
Complexity:
72.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-2.5