AE62236
1352217-61-8 | Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62236
ChemicalName
Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
CasNumber
1352217-61-8
MolecularFormula
C12H15N3O2
MolecularWeight
233.2664
MdlNumber
MFCD20920217
Smiles
CCOC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AE62236
ChemicalName: Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1352217-61-8
MolecularFormula: C12H15N3O2
MolecularWeight: 233.2664
MdlNumber: MFCD20920217
Smiles: CCOC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AE62236
ChemicalName:
Ethyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1352217-61-8
MolecularFormula:
C12H15N3O2
MolecularWeight:
233.2664
MdlNumber:
MFCD20920217
Smiles:
CCOC(=O)c1ccc2c(c1)nnn2C(C)C
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc2c(c1)nnn2CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc2c(c1)nnn2CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc2c(c1)ncn2CC
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc2c(c1)ncn2CC
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AE62239
ChemicalName: Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CasNumber: 1300730-68-0
MolecularFormula: C12H10F3NO6
MolecularWeight: 321.2061
MdlNumber: MFCD22689081
Smiles: COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 9
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AE62239
ChemicalName:
Dimethyl 2-(4-nitro-2-trifluoromethylphenyl)malonate
CasNumber:
1300730-68-0
MolecularFormula:
C12H10F3NO6
MolecularWeight:
321.2061
MdlNumber:
MFCD22689081
Smiles:
COC(=O)C(c1ccc(cc1C(F)(F)F)[N+](=O)[O-])C(=O)OC
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
9
RotatableBondCount:
5
Xlogp3:
2.5