AC82743
72752-81-9 | Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC82743
ChemicalName
Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
CasNumber
72752-81-9
MolecularFormula
C9H7NO3S
MolecularWeight
209.2218
MdlNumber
MFCD09261169
Smiles
COC(=O)c1ccc2c(c1)oc(n2)S
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AC82743
ChemicalName: Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
CasNumber: 72752-81-9
MolecularFormula: C9H7NO3S
MolecularWeight: 209.2218
MdlNumber: MFCD09261169
Smiles: COC(=O)c1ccc2c(c1)oc(n2)S
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AC82743
ChemicalName:
Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate
CasNumber:
72752-81-9
MolecularFormula:
C9H7NO3S
MolecularWeight:
209.2218
MdlNumber:
MFCD09261169
Smiles:
COC(=O)c1ccc2c(c1)oc(n2)S
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccn1c1ccc(cc1)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccn1c1ccc(cc1)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC82747
ChemicalName: Heptafluoronaphthalen-2-ol
CasNumber: 727-49-1
MolecularFormula: C10HF7O
MolecularWeight: 270.1032
MdlNumber: MFCD00143689
Smiles: Fc1c(O)c(F)c(c2c1c(F)c(c(c2F)F)F)F
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
AC82747
ChemicalName:
Heptafluoronaphthalen-2-ol
CasNumber:
727-49-1
MolecularFormula:
C10HF7O
MolecularWeight:
270.1032
MdlNumber:
MFCD00143689
Smiles:
Fc1c(O)c(F)c(c2c1c(F)c(c(c2F)F)F)F
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(/C=C/C(=O)O)NCC1CCC(CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(/C=C/C(=O)O)NCC1CCC(CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__