AI65801
99027-90-4 | tert-Butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI65801
ChemicalName
tert-Butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber
99027-90-4
MolecularFormula
C10H15NO3
MolecularWeight
197.231
MdlNumber
MFCD24465569
Smiles
O=C(N1OC2CC1C=C2)OC(C)(C)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.6
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CatalogNumber: AI65801
ChemicalName: tert-Butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber: 99027-90-4
MolecularFormula: C10H15NO3
MolecularWeight: 197.231
MdlNumber: MFCD24465569
Smiles: O=C(N1OC2CC1C=C2)OC(C)(C)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.6
CatalogNumber:
AI65801
ChemicalName:
tert-Butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber:
99027-90-4
MolecularFormula:
C10H15NO3
MolecularWeight:
197.231
MdlNumber:
MFCD24465569
Smiles:
O=C(N1OC2CC1C=C2)OC(C)(C)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.6
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Smiles: OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OCCN=[N+]=[N-]
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Smiles:
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OCCN=[N+]=[N-]
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Smiles: Brc1cc(F)c(c(c1)F)OCc1ccccc1
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Brc1cc(F)c(c(c1)F)OCc1ccccc1
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Smiles: Oc1cc(F)c(c(c1)F)OCc1ccccc1
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Smiles:
Oc1cc(F)c(c(c1)F)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__