AB63990
22445-42-7 | 3,5-Dimethylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB63990
ChemicalName
3,5-Dimethylbenzonitrile
CasNumber
22445-42-7
MolecularFormula
C9H9N
MolecularWeight
131.17445999999998
MdlNumber
MFCD00060670
Smiles
N#Cc1cc(C)cc(c1)C
Complexity
143
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
2.4
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CatalogNumber: AB63990
ChemicalName: 3,5-Dimethylbenzonitrile
CasNumber: 22445-42-7
MolecularFormula: C9H9N
MolecularWeight: 131.17445999999998
MdlNumber: MFCD00060670
Smiles: N#Cc1cc(C)cc(c1)C
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 2.4
CatalogNumber:
AB63990
ChemicalName:
3,5-Dimethylbenzonitrile
CasNumber:
22445-42-7
MolecularFormula:
C9H9N
MolecularWeight:
131.17445999999998
MdlNumber:
MFCD00060670
Smiles:
N#Cc1cc(C)cc(c1)C
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cc(C)cc(c1)C
Complexity: 146
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cc(C)cc(c1)C
Complexity:
146
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cc(C)cc(c1)C
Complexity: 90.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cc(C)cc(c1)C
Complexity:
90.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1c(C)noc1C
Complexity: 86.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1c(C)noc1C
Complexity:
86.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
0.5