AI40721
1820686-35-8 | Methyl 7-bromo-1-propyl-1,2,3-benzotriazole-5-carboxylate
Manufacturer: A2B Chem
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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
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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:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(c1nc2n(c1Br)cccc2)Cl.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(c1nc2n(c1Br)cccc2)Cl.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40725
ChemicalName: Methyl 4-(N-isopropylmethanesulfonamido)benzoate
CasNumber: 1820686-46-1
MolecularFormula: C12H17NO4S
MolecularWeight: 271.3327
MdlNumber: MFCD28166392
Smiles: COC(=O)c1ccc(cc1)N(S(=O)(=O)C)C(C)C
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1.7
CatalogNumber:
AI40725
ChemicalName:
Methyl 4-(N-isopropylmethanesulfonamido)benzoate
CasNumber:
1820686-46-1
MolecularFormula:
C12H17NO4S
MolecularWeight:
271.3327
MdlNumber:
MFCD28166392
Smiles:
COC(=O)c1ccc(cc1)N(S(=O)(=O)C)C(C)C
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1.7