AG29498
54435-09-5 | 2-Iodo-4-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG29498
ChemicalName
2-Iodo-4-methoxybenzoic acid
CasNumber
54435-09-5
MolecularFormula
C8H7IO3
MolecularWeight
278.04384999999996
MdlNumber
MFCD09909619
Smiles
COc1ccc(c(c1)I)C(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AG29498
ChemicalName: 2-Iodo-4-methoxybenzoic acid
CasNumber: 54435-09-5
MolecularFormula: C8H7IO3
MolecularWeight: 278.04384999999996
MdlNumber: MFCD09909619
Smiles: COc1ccc(c(c1)I)C(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AG29498
ChemicalName:
2-Iodo-4-methoxybenzoic acid
CasNumber:
54435-09-5
MolecularFormula:
C8H7IO3
MolecularWeight:
278.04384999999996
MdlNumber:
MFCD09909619
Smiles:
COc1ccc(c(c1)I)C(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1nccs1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1nccs1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc2c(c1)OCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc2c(c1)OCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29501
ChemicalName: Diethyl meso-2,5-dibromoadipate
CasNumber: 54221-37-3
MolecularFormula: C10H16Br2O4
MolecularWeight: 360.0396
MdlNumber: MFCD00075379
Smiles: CCOC(=O)[C@H](CC[C@H](C(=O)OCC)Br)Br
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 9
Xlogp3: 3.1
CatalogNumber:
AG29501
ChemicalName:
Diethyl meso-2,5-dibromoadipate
CasNumber:
54221-37-3
MolecularFormula:
C10H16Br2O4
MolecularWeight:
360.0396
MdlNumber:
MFCD00075379
Smiles:
CCOC(=O)[C@H](CC[C@H](C(=O)OCC)Br)Br
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
9
Xlogp3:
3.1