AA52679
1214334-83-4 | 2-Bromo-4-(trifluoromethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA52679
ChemicalName
2-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber
1214334-83-4
MolecularFormula
C8H3BrF3NO
MolecularWeight
266.0147
MdlNumber
MFCD13185874
Smiles
N#Cc1ccc(cc1Br)OC(F)(F)F
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AA52679
ChemicalName: 2-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber: 1214334-83-4
MolecularFormula: C8H3BrF3NO
MolecularWeight: 266.0147
MdlNumber: MFCD13185874
Smiles: N#Cc1ccc(cc1Br)OC(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AA52679
ChemicalName:
2-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber:
1214334-83-4
MolecularFormula:
C8H3BrF3NO
MolecularWeight:
266.0147
MdlNumber:
MFCD13185874
Smiles:
N#Cc1ccc(cc1Br)OC(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AA52680
ChemicalName: 5-Bromo-6-methoxypicolinic acid
CasNumber: 1214334-70-9
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD13185810
Smiles: COc1nc(ccc1Br)C(=O)O
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA52680
ChemicalName:
5-Bromo-6-methoxypicolinic acid
CasNumber:
1214334-70-9
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD13185810
Smiles:
COc1nc(ccc1Br)C(=O)O
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: N#Cc1cncc(c1)c1ccccc1F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
N#Cc1cncc(c1)c1ccccc1F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(c(c1)S(=O)(=O)Cl)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(c(c1)S(=O)(=O)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__