AI06862
105919-34-4 | Cis-2-fluoro-cyclopropanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI06862
ChemicalName
Cis-2-fluoro-cyclopropanecarboxylic acid
CasNumber
105919-34-4
MolecularFormula
C8H10F2O4
MolecularWeight
208.1594
MdlNumber
MFCD04972869
Smiles
OC(=O)[C@H]1C[C@H]1F.OC(=O)[C@@H]1C[C@@H]1F
Complexity
102
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AI06862
ChemicalName: Cis-2-fluoro-cyclopropanecarboxylic acid
CasNumber: 105919-34-4
MolecularFormula: C8H10F2O4
MolecularWeight: 208.1594
MdlNumber: MFCD04972869
Smiles: OC(=O)[C@H]1C[C@H]1F.OC(=O)[C@@H]1C[C@@H]1F
Complexity: 102
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AI06862
ChemicalName:
Cis-2-fluoro-cyclopropanecarboxylic acid
CasNumber:
105919-34-4
MolecularFormula:
C8H10F2O4
MolecularWeight:
208.1594
MdlNumber:
MFCD04972869
Smiles:
OC(=O)[C@H]1C[C@H]1F.OC(=O)[C@@H]1C[C@@H]1F
Complexity:
102
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: AI06863
ChemicalName: Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
CasNumber: 1059195-96-8
MolecularFormula: C10H10N2O4
MolecularWeight: 222.1974
MdlNumber: MFCD28992186
Smiles: COC(=O)CC1C(=O)NC(=O)c2n1ccc2
Complexity: 342
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AI06863
ChemicalName:
Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
CasNumber:
1059195-96-8
MolecularFormula:
C10H10N2O4
MolecularWeight:
222.1974
MdlNumber:
MFCD28992186
Smiles:
COC(=O)CC1C(=O)NC(=O)c2n1ccc2
Complexity:
342
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C.Cl
Complexity: 956
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C.Cl
Complexity:
956
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(OCc2ccccc2)cc(c1O)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(OCc2ccccc2)cc(c1O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__