AB12462
19094-48-5 | 3,5-Diiodobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB12462
ChemicalName
3,5-Diiodobenzoic acid
CasNumber
19094-48-5
MolecularFormula
C7H4I2O2
MolecularWeight
373.9144
MdlNumber
MFCD00463860
Smiles
OC(=O)c1cc(I)cc(c1)I
NscNumber
149429
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AB12462
ChemicalName: 3,5-Diiodobenzoic acid
CasNumber: 19094-48-5
MolecularFormula: C7H4I2O2
MolecularWeight: 373.9144
MdlNumber: MFCD00463860
Smiles: OC(=O)c1cc(I)cc(c1)I
NscNumber: 149429
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB12462
ChemicalName:
3,5-Diiodobenzoic acid
CasNumber:
19094-48-5
MolecularFormula:
C7H4I2O2
MolecularWeight:
373.9144
MdlNumber:
MFCD00463860
Smiles:
OC(=O)c1cc(I)cc(c1)I
NscNumber:
149429
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCS(=O)(=O)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCS(=O)(=O)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)c1ccccc1C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)c1ccccc1C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB12471
ChemicalName: 3-Propoxybenzoic acid
CasNumber: 190965-42-5
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD01993660
Smiles: CCCOc1cccc(c1)C(=O)O
NscNumber: __
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB12471
ChemicalName:
3-Propoxybenzoic acid
CasNumber:
190965-42-5
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD01993660
Smiles:
CCCOc1cccc(c1)C(=O)O
NscNumber:
__
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9