AI64936
959245-76-2 | 3-Bromo-5-(trifluoromethyl)picolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI64936
ChemicalName
3-Bromo-5-(trifluoromethyl)picolinic acid
CasNumber
959245-76-2
MolecularFormula
C7H3BrF3NO2
MolecularWeight
270.0034
MdlNumber
MFCD11036124
Smiles
OC(=O)c1ncc(cc1Br)C(F)(F)F
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AI64936
ChemicalName: 3-Bromo-5-(trifluoromethyl)picolinic acid
CasNumber: 959245-76-2
MolecularFormula: C7H3BrF3NO2
MolecularWeight: 270.0034
MdlNumber: MFCD11036124
Smiles: OC(=O)c1ncc(cc1Br)C(F)(F)F
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AI64936
ChemicalName:
3-Bromo-5-(trifluoromethyl)picolinic acid
CasNumber:
959245-76-2
MolecularFormula:
C7H3BrF3NO2
MolecularWeight:
270.0034
MdlNumber:
MFCD11036124
Smiles:
OC(=O)c1ncc(cc1Br)C(F)(F)F
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1cccc2c1nco2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1cccc2c1nco2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(cc(c1)Cl)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(cc(c1)Cl)C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc2-c3c(C(c2c1)(C)C)cccc3
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2-c3c(C(c2c1)(C)C)cccc3
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1