AD07596
6647-93-4 | 4-Iodo-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD07596
ChemicalName
4-Iodo-1h-pyrazole-3-carboxylic acid
CasNumber
6647-93-4
MolecularFormula
C4H3IN2O2
MolecularWeight
237.9833
MdlNumber
MFCD00465280
Smiles
OC(=O)c1c(I)cn[nH]1
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AD07596
ChemicalName: 4-Iodo-1h-pyrazole-3-carboxylic acid
CasNumber: 6647-93-4
MolecularFormula: C4H3IN2O2
MolecularWeight: 237.9833
MdlNumber: MFCD00465280
Smiles: OC(=O)c1c(I)cn[nH]1
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AD07596
ChemicalName:
4-Iodo-1h-pyrazole-3-carboxylic acid
CasNumber:
6647-93-4
MolecularFormula:
C4H3IN2O2
MolecularWeight:
237.9833
MdlNumber:
MFCD00465280
Smiles:
OC(=O)c1c(I)cn[nH]1
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC[C@@H](O1)COc1cc(C)cc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC[C@@H](O1)COc1cc(C)cc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc2OCCCOc2cc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc2OCCCOc2cc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCOc1cccc(c1)CN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCOc1cccc(c1)CN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__