AA36224
1261896-06-3 | 2-(4-Chloro-2-methoxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36224
ChemicalName
2-(4-Chloro-2-methoxyphenyl)benzoic acid
CasNumber
1261896-06-3
MolecularFormula
C14H11ClO3
MolecularWeight
262.6883
MdlNumber
MFCD18312673
Smiles
COc1cc(Cl)ccc1c1ccccc1C(=O)O
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA36224
ChemicalName: 2-(4-Chloro-2-methoxyphenyl)benzoic acid
CasNumber: 1261896-06-3
MolecularFormula: C14H11ClO3
MolecularWeight: 262.6883
MdlNumber: MFCD18312673
Smiles: COc1cc(Cl)ccc1c1ccccc1C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA36224
ChemicalName:
2-(4-Chloro-2-methoxyphenyl)benzoic acid
CasNumber:
1261896-06-3
MolecularFormula:
C14H11ClO3
MolecularWeight:
262.6883
MdlNumber:
MFCD18312673
Smiles:
COc1cc(Cl)ccc1c1ccccc1C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA36225
ChemicalName: 1-(3-Bromo-5-chlorophenyl)pyrrolidine
CasNumber: 1261895-87-7
MolecularFormula: C10H11BrClN
MolecularWeight: 260.558
MdlNumber: MFCD18311877
Smiles: Clc1cc(Br)cc(c1)N1CCCC1
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AA36225
ChemicalName:
1-(3-Bromo-5-chlorophenyl)pyrrolidine
CasNumber:
1261895-87-7
MolecularFormula:
C10H11BrClN
MolecularWeight:
260.558
MdlNumber:
MFCD18311877
Smiles:
Clc1cc(Br)cc(c1)N1CCCC1
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Cl)cc(c1N)Br
Complexity: 136
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Cl)cc(c1N)Br
Complexity:
136
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AA36228
ChemicalName: 5-(4-Carboxyphenyl)-3-hydroxypyridine
CasNumber: 1261895-73-1
MolecularFormula: C12H9NO3
MolecularWeight: 215.2048
MdlNumber: MFCD18312125
Smiles: Oc1cncc(c1)c1ccc(cc1)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AA36228
ChemicalName:
5-(4-Carboxyphenyl)-3-hydroxypyridine
CasNumber:
1261895-73-1
MolecularFormula:
C12H9NO3
MolecularWeight:
215.2048
MdlNumber:
MFCD18312125
Smiles:
Oc1cncc(c1)c1ccc(cc1)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6