AI50205
4210-32-6 | 4-tert-Butylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI50205
ChemicalName
4-tert-Butylbenzonitrile
CasNumber
4210-32-6
MolecularFormula
C11H13N
MolecularWeight
159.2276
MdlNumber
MFCD00075840
Smiles
N#Cc1ccc(cc1)C(C)(C)C
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
3.4
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CatalogNumber: AI50205
ChemicalName: 4-tert-Butylbenzonitrile
CasNumber: 4210-32-6
MolecularFormula: C11H13N
MolecularWeight: 159.2276
MdlNumber: MFCD00075840
Smiles: N#Cc1ccc(cc1)C(C)(C)C
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AI50205
ChemicalName:
4-tert-Butylbenzonitrile
CasNumber:
4210-32-6
MolecularFormula:
C11H13N
MolecularWeight:
159.2276
MdlNumber:
MFCD00075840
Smiles:
N#Cc1ccc(cc1)C(C)(C)C
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C#Cc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C#Cc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI50207
ChemicalName: 2-Amino-5-cyanopyridine
CasNumber: 4214-73-7
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD00128902
Smiles: N#Cc1ccc(nc1)N
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
AI50207
ChemicalName:
2-Amino-5-cyanopyridine
CasNumber:
4214-73-7
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD00128902
Smiles:
N#Cc1ccc(nc1)N
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: AI50208
ChemicalName: 2-Amino-3-nitropyridine
CasNumber: 4214-75-9
MolecularFormula: C5H5N3O2
MolecularWeight: 139.1121
MdlNumber: MFCD00006314
Smiles: [O-][N+](=O)c1cccnc1N
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AI50208
ChemicalName:
2-Amino-3-nitropyridine
CasNumber:
4214-75-9
MolecularFormula:
C5H5N3O2
MolecularWeight:
139.1121
MdlNumber:
MFCD00006314
Smiles:
[O-][N+](=O)c1cccnc1N
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
0.9