AI40546
1820665-33-5 | 7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI40546
ChemicalName
7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber
1820665-33-5
MolecularFormula
C9H6BrF3N2O
MolecularWeight
295.0559
MdlNumber
MFCD28369613
Smiles
FC(c1cc(Br)c2c(c1)[nH]c(=O)n2C)(F)F
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
2.3
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CatalogNumber: AI40546
ChemicalName: 7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber: 1820665-33-5
MolecularFormula: C9H6BrF3N2O
MolecularWeight: 295.0559
MdlNumber: MFCD28369613
Smiles: FC(c1cc(Br)c2c(c1)[nH]c(=O)n2C)(F)F
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 2.3
CatalogNumber:
AI40546
ChemicalName:
7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one
CasNumber:
1820665-33-5
MolecularFormula:
C9H6BrF3N2O
MolecularWeight:
295.0559
MdlNumber:
MFCD28369613
Smiles:
FC(c1cc(Br)c2c(c1)[nH]c(=O)n2C)(F)F
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)OC(C)(C)C
Complexity: 421
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1nccc(c1)C(=O)OC(C)(C)C
Complexity:
421
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COc1cccc(n1)C)C
Complexity: 125
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COc1cccc(n1)C)C
Complexity:
125
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)N)c1c[nH]nc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)N)c1c[nH]nc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__