AV18411
1451392-80-5 | tert-Butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18411
ChemicalName
tert-Butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate
CasNumber
1451392-80-5
MolecularFormula
C14H19NO2
MolecularWeight
233.3062
MdlNumber
MFCD23704693
Smiles
O=C(N1C2C=CCC32C1C=CC3)OC(C)(C)C
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
2.5
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CatalogNumber: AV18411
ChemicalName: tert-Butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate
CasNumber: 1451392-80-5
MolecularFormula: C14H19NO2
MolecularWeight: 233.3062
MdlNumber: MFCD23704693
Smiles: O=C(N1C2C=CCC32C1C=CC3)OC(C)(C)C
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.5
CatalogNumber:
AV18411
ChemicalName:
tert-Butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate
CasNumber:
1451392-80-5
MolecularFormula:
C14H19NO2
MolecularWeight:
233.3062
MdlNumber:
MFCD23704693
Smiles:
O=C(N1C2C=CCC32C1C=CC3)OC(C)(C)C
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc([nH]n1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc([nH]n1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NC(c1cc(Cl)cc(c1)Cl)(C)C
Complexity: 233
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC(c1cc(Cl)cc(c1)Cl)(C)C
Complexity:
233
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: AV18414
ChemicalName: 4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CasNumber: 174011-58-6
MolecularFormula: C11H5F3O5
MolecularWeight: 274.1496
MdlNumber: MFCD25960034
Smiles: OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 8
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
AV18414
ChemicalName:
4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid
CasNumber:
174011-58-6
MolecularFormula:
C11H5F3O5
MolecularWeight:
274.1496
MdlNumber:
MFCD25960034
Smiles:
OC(=O)c1cc(=O)c2c(o1)ccc(c2)OC(F)(F)F
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
8
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8