AE27348
1082682-56-1 | Methyl benzo[d]isoxazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE27348
ChemicalName
Methyl benzo[d]isoxazole-3-carboxylate
CasNumber
1082682-56-1
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD21362332
Smiles
COC(=O)c1noc2c1cccc2
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AE27348
ChemicalName: Methyl benzo[d]isoxazole-3-carboxylate
CasNumber: 1082682-56-1
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD21362332
Smiles: COC(=O)c1noc2c1cccc2
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AE27348
ChemicalName:
Methyl benzo[d]isoxazole-3-carboxylate
CasNumber:
1082682-56-1
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD21362332
Smiles:
COC(=O)c1noc2c1cccc2
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(C)n2c(n1)ncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(C)n2c(n1)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cn(nc1C(F)(F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cn(nc1C(F)(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc2[nH]nc(c2cc1Cl)Cl
Complexity: 176
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc2[nH]nc(c2cc1Cl)Cl
Complexity:
176
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5