AI40718
1820686-19-8 | Ethyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI40718
ChemicalName
Ethyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
CasNumber
1820686-19-8
MolecularFormula
C12H14BrN3O2
MolecularWeight
312.1625
MdlNumber
MFCD25953934
Smiles
CCOC(=O)c1cc(Br)c2c(c1)nnn2CCC
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.9
Compare Similar Items
Show Difference
CatalogNumber: AI40718
ChemicalName: Ethyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1820686-19-8
MolecularFormula: C12H14BrN3O2
MolecularWeight: 312.1625
MdlNumber: MFCD25953934
Smiles: CCOC(=O)c1cc(Br)c2c(c1)nnn2CCC
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AI40718
ChemicalName:
Ethyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1820686-19-8
MolecularFormula:
C12H14BrN3O2
MolecularWeight:
312.1625
MdlNumber:
MFCD25953934
Smiles:
CCOC(=O)c1cc(Br)c2c(c1)nnn2CCC
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(C1)S(=O)(=O)C(C)(C)C)OC(C)(C)C
Complexity: 417
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C1)S(=O)(=O)C(C)(C)C)OC(C)(C)C
Complexity:
417
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AI40721
ChemicalName: Methyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
CasNumber: 1820686-35-8
MolecularFormula: C11H12BrN3O2
MolecularWeight: 298.1359
MdlNumber: MFCD25953926
Smiles: CCCn1nnc2c1c(Br)cc(c2)C(=O)OC
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI40721
ChemicalName:
Methyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
CasNumber:
1820686-35-8
MolecularFormula:
C11H12BrN3O2
MolecularWeight:
298.1359
MdlNumber:
MFCD25953926
Smiles:
CCCn1nnc2c1c(Br)cc(c2)C(=O)OC
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AI40723
ChemicalName: Methyl 2-(4-amino-2-fluorophenyl)acetate hydrochloride
CasNumber: 1820686-43-8
MolecularFormula: C9H11ClFNO2
MolecularWeight: 219.6405
MdlNumber: MFCD28096628
Smiles: COC(=O)Cc1ccc(cc1F)N.Cl
Complexity: 187
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AI40723
ChemicalName:
Methyl 2-(4-amino-2-fluorophenyl)acetate hydrochloride
CasNumber:
1820686-43-8
MolecularFormula:
C9H11ClFNO2
MolecularWeight:
219.6405
MdlNumber:
MFCD28096628
Smiles:
COC(=O)Cc1ccc(cc1F)N.Cl
Complexity:
187
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__