AE62686
1400644-57-6 | 1-Propyl-1,2,3-benzotriazole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62686
ChemicalName
1-Propyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber
1400644-57-6
MolecularFormula
C10H10N4
MolecularWeight
186.2132
MdlNumber
MFCD22421517
Smiles
CCCn1nnc2c1ccc(c2)C#N
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AE62686
ChemicalName: 1-Propyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1400644-57-6
MolecularFormula: C10H10N4
MolecularWeight: 186.2132
MdlNumber: MFCD22421517
Smiles: CCCn1nnc2c1ccc(c2)C#N
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AE62686
ChemicalName:
1-Propyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1400644-57-6
MolecularFormula:
C10H10N4
MolecularWeight:
186.2132
MdlNumber:
MFCD22421517
Smiles:
CCCn1nnc2c1ccc(c2)C#N
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AE62687
ChemicalName: Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
CasNumber: 1423037-45-9
MolecularFormula: C10H13BrN2O2
MolecularWeight: 273.1264
MdlNumber: MFCD23135969
Smiles: CCOC(=O)c1cc(N)c(c(c1)Br)NC
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE62687
ChemicalName:
Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
CasNumber:
1423037-45-9
MolecularFormula:
C10H13BrN2O2
MolecularWeight:
273.1264
MdlNumber:
MFCD23135969
Smiles:
CCOC(=O)c1cc(N)c(c(c1)Br)NC
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)CN1C(=O)c2c(C1=O)cccc2
Complexity: 757
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
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MolecularFormula:
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Smiles:
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)CN1C(=O)c2c(C1=O)cccc2
Complexity:
757
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
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Smiles: CCCCNc1ccc(cc1N)C(=O)OCC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
CCCCNc1ccc(cc1N)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__