AI54750
6715-88-4 | (4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54750
ChemicalName
(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CasNumber
6715-88-4
MolecularFormula
C7H9IN2O2
MolecularWeight
280.063
MdlNumber
MFCD01821345
Smiles
OC(=O)Cn1nc(c(c1C)I)C
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AI54750
ChemicalName: (4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CasNumber: 6715-88-4
MolecularFormula: C7H9IN2O2
MolecularWeight: 280.063
MdlNumber: MFCD01821345
Smiles: OC(=O)Cn1nc(c(c1C)I)C
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AI54750
ChemicalName:
(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CasNumber:
6715-88-4
MolecularFormula:
C7H9IN2O2
MolecularWeight:
280.063
MdlNumber:
MFCD01821345
Smiles:
OC(=O)Cn1nc(c(c1C)I)C
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AI54751
ChemicalName: 6-Bromo-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
CasNumber: 67159-84-6
MolecularFormula: C11H11BrO
MolecularWeight: 239.10844
MdlNumber: MFCD17267475
Smiles: Brc1ccc2c(c1)C(=O)CC2(C)C
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AI54751
ChemicalName:
6-Bromo-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
CasNumber:
67159-84-6
MolecularFormula:
C11H11BrO
MolecularWeight:
239.10844
MdlNumber:
MFCD17267475
Smiles:
Brc1ccc2c(c1)C(=O)CC2(C)C
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCCCCC1N1CCS(=O)(=O)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCCCCC1N1CCS(=O)(=O)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Oc1cc(C)c(c(c1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Oc1cc(C)c(c(c1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__