AB51094
403646-46-8 | 2-bromo-6-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51094
ChemicalName
2-bromo-6-(trifluoromethoxy)benzoic acid
CasNumber
403646-46-8
MolecularFormula
C8H4BrF3O3
MolecularWeight
285.0148
MdlNumber
MFCD09266205
Smiles
OC(=O)c1c(cccc1Br)OC(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB51094
ChemicalName: 2-bromo-6-(trifluoromethoxy)benzoic acid
CasNumber: 403646-46-8
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD09266205
Smiles: OC(=O)c1c(cccc1Br)OC(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB51094
ChemicalName:
2-bromo-6-(trifluoromethoxy)benzoic acid
CasNumber:
403646-46-8
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD09266205
Smiles:
OC(=O)c1c(cccc1Br)OC(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB51095
ChemicalName: 3-(Cyclopropylmethoxy)phenylboronic acid
CasNumber: 411229-76-0
MolecularFormula: C10H13BO3
MolecularWeight: 192.0194
MdlNumber: MFCD04039016
Smiles: OB(c1cccc(c1)OCC1CC1)O
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB51095
ChemicalName:
3-(Cyclopropylmethoxy)phenylboronic acid
CasNumber:
411229-76-0
MolecularFormula:
C10H13BO3
MolecularWeight:
192.0194
MdlNumber:
MFCD04039016
Smiles:
OB(c1cccc(c1)OCC1CC1)O
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB51096
ChemicalName: 4-Iodo-m-xylene
CasNumber: 4214-28-2
MolecularFormula: C8H9I
MolecularWeight: 232.0615
MdlNumber: MFCD00013706
Smiles: Cc1ccc(c(c1)C)I
Complexity: 90.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
AB51096
ChemicalName:
4-Iodo-m-xylene
CasNumber:
4214-28-2
MolecularFormula:
C8H9I
MolecularWeight:
232.0615
MdlNumber:
MFCD00013706
Smiles:
Cc1ccc(c(c1)C)I
Complexity:
90.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: AB51097
ChemicalName: 6-Chloro-2-methylquinoline-4-carboxylic acid
CasNumber: 436087-49-9
MolecularFormula: C11H8ClNO2
MolecularWeight: 221.6397
MdlNumber: MFCD00487573
Smiles: Clc1ccc2c(c1)c(cc(n2)C)C(=O)O
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB51097
ChemicalName:
6-Chloro-2-methylquinoline-4-carboxylic acid
CasNumber:
436087-49-9
MolecularFormula:
C11H8ClNO2
MolecularWeight:
221.6397
MdlNumber:
MFCD00487573
Smiles:
Clc1ccc2c(c1)c(cc(n2)C)C(=O)O
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7