AB93017
887266-81-1 | 2-Bromo-5-(trifluoromethoxy)phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB93017
ChemicalName
2-Bromo-5-(trifluoromethoxy)phenylacetic acid
CasNumber
887266-81-1
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD07368725
Smiles
OC(=O)Cc1cc(ccc1Br)OC(F)(F)F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AB93017
ChemicalName: 2-Bromo-5-(trifluoromethoxy)phenylacetic acid
CasNumber: 887266-81-1
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD07368725
Smiles: OC(=O)Cc1cc(ccc1Br)OC(F)(F)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AB93017
ChemicalName:
2-Bromo-5-(trifluoromethoxy)phenylacetic acid
CasNumber:
887266-81-1
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD07368725
Smiles:
OC(=O)Cc1cc(ccc1Br)OC(F)(F)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: AB93027
ChemicalName: Benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CasNumber: 887254-70-8
MolecularFormula: C17H18BrNO2
MolecularWeight: 348.2343
MdlNumber: MFCD21609560
Smiles: O=C(NC(c1cccc(c1)Br)(C)C)OCc1ccccc1
Complexity: 340
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AB93027
ChemicalName:
Benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CasNumber:
887254-70-8
MolecularFormula:
C17H18BrNO2
MolecularWeight:
348.2343
MdlNumber:
MFCD21609560
Smiles:
O=C(NC(c1cccc(c1)Br)(C)C)OCc1ccccc1
Complexity:
340
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.2
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Smiles: COC(=O)C1(N)CCC(=O)CC1
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