AB47354
25252-00-0 | 2-Bromo-5-iodobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47354
ChemicalName
2-Bromo-5-iodobenzoic acid
CasNumber
25252-00-0
MolecularFormula
C7H4BrIO2
MolecularWeight
326.9139
MdlNumber
MFCD00079716
Smiles
Ic1ccc(c(c1)C(=O)O)Br
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AB47354
ChemicalName: 2-Bromo-5-iodobenzoic acid
CasNumber: 25252-00-0
MolecularFormula: C7H4BrIO2
MolecularWeight: 326.9139
MdlNumber: MFCD00079716
Smiles: Ic1ccc(c(c1)C(=O)O)Br
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB47354
ChemicalName:
2-Bromo-5-iodobenzoic acid
CasNumber:
25252-00-0
MolecularFormula:
C7H4BrIO2
MolecularWeight:
326.9139
MdlNumber:
MFCD00079716
Smiles:
Ic1ccc(c(c1)C(=O)O)Br
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AB47355
ChemicalName: Pyrazole-4-carboxaldehyde
CasNumber: 35344-95-7
MolecularFormula: C4H4N2O
MolecularWeight: 96.0874
MdlNumber: MFCD11847767
Smiles: O=Cc1c[nH]nc1
Complexity: 74.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AB47355
ChemicalName:
Pyrazole-4-carboxaldehyde
CasNumber:
35344-95-7
MolecularFormula:
C4H4N2O
MolecularWeight:
96.0874
MdlNumber:
MFCD11847767
Smiles:
O=Cc1c[nH]nc1
Complexity:
74.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(C1=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(C1=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: 749
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 7.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(=C)C)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
749
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
7.2