AB68863
749875-16-9 | 5-Bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68863
ChemicalName
5-Bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CasNumber
749875-16-9
MolecularFormula
C7H3BrF3NO2
MolecularWeight
270.0034
MdlNumber
MFCD10687236
Smiles
OC(=O)c1cc(ncc1Br)C(F)(F)F
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB68863
ChemicalName: 5-Bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CasNumber: 749875-16-9
MolecularFormula: C7H3BrF3NO2
MolecularWeight: 270.0034
MdlNumber: MFCD10687236
Smiles: OC(=O)c1cc(ncc1Br)C(F)(F)F
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB68863
ChemicalName:
5-Bromo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CasNumber:
749875-16-9
MolecularFormula:
C7H3BrF3NO2
MolecularWeight:
270.0034
MdlNumber:
MFCD10687236
Smiles:
OC(=O)c1cc(ncc1Br)C(F)(F)F
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(s1)c1ccc(s1)Br
Complexity: 200
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(s1)c1ccc(s1)Br
Complexity:
200
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: AB68865
ChemicalName: 5-Bromo-2,2'-diethoxy-4,5'-bipyridine
CasNumber: 871269-04-4
MolecularFormula: C14H15BrN2O2
MolecularWeight: 323.1851
MdlNumber: MFCD07363848
Smiles: CCOc1ccc(cn1)c1cc(OCC)ncc1Br
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3.4
CatalogNumber:
AB68865
ChemicalName:
5-Bromo-2,2'-diethoxy-4,5'-bipyridine
CasNumber:
871269-04-4
MolecularFormula:
C14H15BrN2O2
MolecularWeight:
323.1851
MdlNumber:
MFCD07363848
Smiles:
CCOc1ccc(cn1)c1cc(OCC)ncc1Br
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3.4
CatalogNumber: AB68866
ChemicalName: 5-Bromo-2,2-difluorobenzo[d][1,3]dioxole
CasNumber: 33070-32-5
MolecularFormula: C7H3BrF2O2
MolecularWeight: 236.9983
MdlNumber: MFCD00236212
Smiles: Brc1ccc2c(c1)OC(O2)(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AB68866
ChemicalName:
5-Bromo-2,2-difluorobenzo[d][1,3]dioxole
CasNumber:
33070-32-5
MolecularFormula:
C7H3BrF2O2
MolecularWeight:
236.9983
MdlNumber:
MFCD00236212
Smiles:
Brc1ccc2c(c1)OC(O2)(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2