AE24395
1131587-92-2 | Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE24395
ChemicalName
Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
CasNumber
1131587-92-2
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD11110855
Smiles
COC(=O)c1cc(Br)c(cc1O)C(F)(F)F
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AE24395
ChemicalName: Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
CasNumber: 1131587-92-2
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD11110855
Smiles: COC(=O)c1cc(Br)c(cc1O)C(F)(F)F
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE24395
ChemicalName:
Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
CasNumber:
1131587-92-2
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD11110855
Smiles:
COC(=O)c1cc(Br)c(cc1O)C(F)(F)F
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AE24396
ChemicalName: 5-Bromo-2-methylamino-benzonitrile
CasNumber: 106874-91-3
MolecularFormula: C8H7BrN2
MolecularWeight: 211.0586
MdlNumber: MFCD24231190
Smiles: N#Cc1cc(Br)ccc1NC
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AE24396
ChemicalName:
5-Bromo-2-methylamino-benzonitrile
CasNumber:
106874-91-3
MolecularFormula:
C8H7BrN2
MolecularWeight:
211.0586
MdlNumber:
MFCD24231190
Smiles:
N#Cc1cc(Br)ccc1NC
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
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Smiles: NC(=O)c1cc(Br)c(cc1O)F
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NC(=O)c1cc(Br)c(cc1O)F
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HydrogenBondDonorCount:
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RotatableBondCount:
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