AE62512
1393442-44-8 | 1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62512
ChemicalName
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber
1393442-44-8
MolecularFormula
C13H14N4
MolecularWeight
226.2771
MdlNumber
MFCD22383712
Smiles
N#Cc1ccc2c(c1)nnn2C1CCCCC1
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AE62512
ChemicalName: 1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1393442-44-8
MolecularFormula: C13H14N4
MolecularWeight: 226.2771
MdlNumber: MFCD22383712
Smiles: N#Cc1ccc2c(c1)nnn2C1CCCCC1
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AE62512
ChemicalName:
1-Cyclohexyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1393442-44-8
MolecularFormula:
C13H14N4
MolecularWeight:
226.2771
MdlNumber:
MFCD22383712
Smiles:
N#Cc1ccc2c(c1)nnn2C1CCCCC1
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: AE62513
ChemicalName: 5-(3,5-Dichlorophenyl)picolinic acid
CasNumber: 1261980-57-7
MolecularFormula: C12H7Cl2NO2
MolecularWeight: 268.0955
MdlNumber: MFCD18318111
Smiles: Clc1cc(Cl)cc(c1)c1ccc(nc1)C(=O)O
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AE62513
ChemicalName:
5-(3,5-Dichlorophenyl)picolinic acid
CasNumber:
1261980-57-7
MolecularFormula:
C12H7Cl2NO2
MolecularWeight:
268.0955
MdlNumber:
MFCD18318111
Smiles:
Clc1cc(Cl)cc(c1)c1ccc(nc1)C(=O)O
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: AE62514
ChemicalName: 3-Amino-4-(cyclohexylamino)benzonitrile
CasNumber: 123856-34-8
MolecularFormula: C13H17N3
MolecularWeight: 215.2942
MdlNumber: MFCD12189558
Smiles: N#Cc1ccc(c(c1)N)NC1CCCCC1
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AE62514
ChemicalName:
3-Amino-4-(cyclohexylamino)benzonitrile
CasNumber:
123856-34-8
MolecularFormula:
C13H17N3
MolecularWeight:
215.2942
MdlNumber:
MFCD12189558
Smiles:
N#Cc1ccc(c(c1)N)NC1CCCCC1
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AE62515
ChemicalName: 3,6-Dicyanopicoline
CasNumber: 1352318-05-8
MolecularFormula: C8H5N3
MolecularWeight: 143.1454
MdlNumber: MFCD20529525
Smiles: N#Cc1ccc(c(n1)C)C#N
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AE62515
ChemicalName:
3,6-Dicyanopicoline
CasNumber:
1352318-05-8
MolecularFormula:
C8H5N3
MolecularWeight:
143.1454
MdlNumber:
MFCD20529525
Smiles:
N#Cc1ccc(c(n1)C)C#N
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1