AI41551
1845706-36-6 | Ethyl 1-cyclopentyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41551
ChemicalName
Ethyl 1-cyclopentyl-1,2,3-benzotriazole-5-carboxylate
CasNumber
1845706-36-6
MolecularFormula
C14H17N3O2
MolecularWeight
259.3037
MdlNumber
MFCD28962785
Smiles
CCOC(=O)c1ccc2c(c1)nnn2C1CCCC1
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AI41551
ChemicalName: Ethyl 1-cyclopentyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1845706-36-6
MolecularFormula: C14H17N3O2
MolecularWeight: 259.3037
MdlNumber: MFCD28962785
Smiles: CCOC(=O)c1ccc2c(c1)nnn2C1CCCC1
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI41551
ChemicalName:
Ethyl 1-cyclopentyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1845706-36-6
MolecularFormula:
C14H17N3O2
MolecularWeight:
259.3037
MdlNumber:
MFCD28962785
Smiles:
CCOC(=O)c1ccc2c(c1)nnn2C1CCCC1
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.8
CatalogNumber: AI41552
ChemicalName: N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
CasNumber: 1845706-41-3
MolecularFormula: C8H7F3N2O4S
MolecularWeight: 284.2124
MdlNumber: MFCD28962748
Smiles: [O-][N+](=O)c1ccc(cc1NS(=O)(=O)C)C(F)(F)F
Complexity: 412
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AI41552
ChemicalName:
N-[2-Nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
CasNumber:
1845706-41-3
MolecularFormula:
C8H7F3N2O4S
MolecularWeight:
284.2124
MdlNumber:
MFCD28962748
Smiles:
[O-][N+](=O)c1ccc(cc1NS(=O)(=O)C)C(F)(F)F
Complexity:
412
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AI41553
ChemicalName: Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1845706-43-5
MolecularFormula: C17H22N2O2
MolecularWeight: 286.3688
MdlNumber: MFCD28962786
Smiles: CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AI41553
ChemicalName:
Ethyl 1-cyclohexyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1845706-43-5
MolecularFormula:
C17H22N2O2
MolecularWeight:
286.3688
MdlNumber:
MFCD28962786
Smiles:
CCOC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.8
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Smiles: OC(=O)Cc1nccnc1Cl.[Na+]
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Smiles:
OC(=O)Cc1nccnc1Cl.[Na+]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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