AD98629
82104-75-4 | 3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD98629
ChemicalName
3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber
82104-75-4
MolecularFormula
C9H4BrNO2
MolecularWeight
238.0376
MdlNumber
MFCD18205570
Smiles
N#Cc1ccc2c(c1)C(Br)OC2=O
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AD98629
ChemicalName: 3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber: 82104-75-4
MolecularFormula: C9H4BrNO2
MolecularWeight: 238.0376
MdlNumber: MFCD18205570
Smiles: N#Cc1ccc2c(c1)C(Br)OC2=O
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AD98629
ChemicalName:
3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber:
82104-75-4
MolecularFormula:
C9H4BrNO2
MolecularWeight:
238.0376
MdlNumber:
MFCD18205570
Smiles:
N#Cc1ccc2c(c1)C(Br)OC2=O
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
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Smiles: Brc1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MdlNumber:
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Smiles:
Brc1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__