AE62458
1403483-83-9 | 1-Butyl-1,2,3-benzotriazole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62458
ChemicalName
1-Butyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber
1403483-83-9
MolecularFormula
C11H12N4
MolecularWeight
200.2398
MdlNumber
MFCD22549326
Smiles
CCCCn1nnc2c1ccc(c2)C#N
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AE62458
ChemicalName: 1-Butyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1403483-83-9
MolecularFormula: C11H12N4
MolecularWeight: 200.2398
MdlNumber: MFCD22549326
Smiles: CCCCn1nnc2c1ccc(c2)C#N
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AE62458
ChemicalName:
1-Butyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1403483-83-9
MolecularFormula:
C11H12N4
MolecularWeight:
200.2398
MdlNumber:
MFCD22549326
Smiles:
CCCCn1nnc2c1ccc(c2)C#N
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1c(C)nc2c1ccc(c2)C#N
Complexity: 280
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1c(C)nc2c1ccc(c2)C#N
Complexity:
280
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(I)cnn1C1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(I)cnn1C1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62461
ChemicalName: 2-Methanesulfonyl-5-nitrobenzaldehyde
CasNumber: 1423037-20-0
MolecularFormula: C8H7NO5S
MolecularWeight: 229.2099
MdlNumber: MFCD23135930
Smiles: O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AE62461
ChemicalName:
2-Methanesulfonyl-5-nitrobenzaldehyde
CasNumber:
1423037-20-0
MolecularFormula:
C8H7NO5S
MolecularWeight:
229.2099
MdlNumber:
MFCD23135930
Smiles:
O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.5