AV18635
1330766-42-1 | Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18635
ChemicalName
Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
CasNumber
1330766-42-1
MolecularFormula
C17H26BrN3O4
MolecularWeight
416.31
MdlNumber
MFCD18074434
Smiles
O=C(n1nc2c(c1Br)CN(C2(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity
553
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
3.4
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CatalogNumber: AV18635
ChemicalName: Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
CasNumber: 1330766-42-1
MolecularFormula: C17H26BrN3O4
MolecularWeight: 416.31
MdlNumber: MFCD18074434
Smiles: O=C(n1nc2c(c1Br)CN(C2(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 553
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AV18635
ChemicalName:
Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
CasNumber:
1330766-42-1
MolecularFormula:
C17H26BrN3O4
MolecularWeight:
416.31
MdlNumber:
MFCD18074434
Smiles:
O=C(n1nc2c(c1Br)CN(C2(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
553
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AV18636
ChemicalName: 2-(2-(4-Fluorobenzyl)phenyl)acetic acid
CasNumber: 543741-43-1
MolecularFormula: C15H13FO2
MolecularWeight: 244.2609
MdlNumber: MFCD28387783
Smiles: OC(=O)Cc1ccccc1Cc1ccc(cc1)F
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AV18636
ChemicalName:
2-(2-(4-Fluorobenzyl)phenyl)acetic acid
CasNumber:
543741-43-1
MolecularFormula:
C15H13FO2
MolecularWeight:
244.2609
MdlNumber:
MFCD28387783
Smiles:
OC(=O)Cc1ccccc1Cc1ccc(cc1)F
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AV18637
ChemicalName: Ethyl 4-hydroxychroman-2-carboxylate
CasNumber: 124524-76-1
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD30185145
Smiles: CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AV18637
ChemicalName:
Ethyl 4-hydroxychroman-2-carboxylate
CasNumber:
124524-76-1
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD30185145
Smiles:
CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: AV18638
ChemicalName: 5,6-Dihydroxy-2-azabicyclo[2.2.1]heptan-3-one
CasNumber: 143396-01-4
MolecularFormula: C6H9NO3
MolecularWeight: 143.1406
MdlNumber: MFCD19217267
Smiles: O=C1NC2CC1C(C2O)O
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: -1.8
CatalogNumber:
AV18638
ChemicalName:
5,6-Dihydroxy-2-azabicyclo[2.2.1]heptan-3-one
CasNumber:
143396-01-4
MolecularFormula:
C6H9NO3
MolecularWeight:
143.1406
MdlNumber:
MFCD19217267
Smiles:
O=C1NC2CC1C(C2O)O
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
-1.8