AB13021
191602-89-8 | 3-Bromo-4-(trifluoromethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB13021
ChemicalName
3-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber
191602-89-8
MolecularFormula
C8H3BrF3NO
MolecularWeight
266.0147
MdlNumber
MFCD13195683
Smiles
N#Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AB13021
ChemicalName: 3-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber: 191602-89-8
MolecularFormula: C8H3BrF3NO
MolecularWeight: 266.0147
MdlNumber: MFCD13195683
Smiles: N#Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AB13021
ChemicalName:
3-Bromo-4-(trifluoromethoxy)benzonitrile
CasNumber:
191602-89-8
MolecularFormula:
C8H3BrF3NO
MolecularWeight:
266.0147
MdlNumber:
MFCD13195683
Smiles:
N#Cc1ccc(c(c1)Br)OC(F)(F)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AB13023
ChemicalName: 3-Bromo-4-isopropoxybenzaldehyde
CasNumber: 191602-84-3
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD02629653
Smiles: O=Cc1ccc(c(c1)Br)OC(C)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AB13023
ChemicalName:
3-Bromo-4-isopropoxybenzaldehyde
CasNumber:
191602-84-3
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD02629653
Smiles:
O=Cc1ccc(c(c1)Br)OC(C)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: COc1ccc(cc1Br)c1n[nH]nn1
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Smiles:
COc1ccc(cc1Br)c1n[nH]nn1
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Smiles: FCCOc1ccc(cc1Br)[N+](=O)[O-]
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Smiles:
FCCOc1ccc(cc1Br)[N+](=O)[O-]
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HydrogenBondAcceptorCount:
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