AE62402
1403483-67-9 | 5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AE62402
ChemicalName
5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one
CasNumber
1403483-67-9
MolecularFormula
C11H12BrFN2O
MolecularWeight
287.1282
MdlNumber
MFCD22549324
Smiles
Brc1cc2[nH]c(=O)n(c2cc1F)C(C)(C)C
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AE62402
ChemicalName: 5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one
CasNumber: 1403483-67-9
MolecularFormula: C11H12BrFN2O
MolecularWeight: 287.1282
MdlNumber: MFCD22549324
Smiles: Brc1cc2[nH]c(=O)n(c2cc1F)C(C)(C)C
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AE62402
ChemicalName:
5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one
CasNumber:
1403483-67-9
MolecularFormula:
C11H12BrFN2O
MolecularWeight:
287.1282
MdlNumber:
MFCD22549324
Smiles:
Brc1cc2[nH]c(=O)n(c2cc1F)C(C)(C)C
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc2nc(n(c2cc1F)C(C)(C)C)C
Complexity: 266
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc2nc(n(c2cc1F)C(C)(C)C)C
Complexity:
266
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CCCN1S(=O)(=O)c1ccc(s1)Br
Complexity: 408
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CCCN1S(=O)(=O)c1ccc(s1)Br
Complexity:
408
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AE62405
ChemicalName: 2-Bromo-6-(trifluoromethoxy)benzyl chloride
CasNumber: 1393442-62-0
MolecularFormula: C8H5BrClF3O
MolecularWeight: 289.4769
MdlNumber: MFCD22383781
Smiles: ClCc1c(cccc1Br)OC(F)(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AE62405
ChemicalName:
2-Bromo-6-(trifluoromethoxy)benzyl chloride
CasNumber:
1393442-62-0
MolecularFormula:
C8H5BrClF3O
MolecularWeight:
289.4769
MdlNumber:
MFCD22383781
Smiles:
ClCc1c(cccc1Br)OC(F)(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.2