AE27048
1086378-71-3 | tert-Butyl (3-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AE27048
ChemicalName
tert-Butyl (3-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CasNumber
1086378-71-3
MolecularFormula
C14H19NO3
MolecularWeight
249.3056
MdlNumber
MFCD09864900
Smiles
O=C(OC(C)(C)C)NC1CC(c2c1cccc2)O
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AE27048
ChemicalName: tert-Butyl (3-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CasNumber: 1086378-71-3
MolecularFormula: C14H19NO3
MolecularWeight: 249.3056
MdlNumber: MFCD09864900
Smiles: O=C(OC(C)(C)C)NC1CC(c2c1cccc2)O
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AE27048
ChemicalName:
tert-Butyl (3-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CasNumber:
1086378-71-3
MolecularFormula:
C14H19NO3
MolecularWeight:
249.3056
MdlNumber:
MFCD09864900
Smiles:
O=C(OC(C)(C)C)NC1CC(c2c1cccc2)O
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
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Smiles: COCOc1cc(C)c(c(c1)C)B(O)O
Complexity: __
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Smiles:
COCOc1cc(C)c(c(c1)C)B(O)O
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__
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Smiles: B1(OCCN(CCO1)CCCC)C2=CC=CC=C2Br
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Smiles:
B1(OCCN(CCO1)CCCC)C2=CC=CC=C2Br
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OB(c1c(Cl)ccc(c1Cl)C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1c(Cl)ccc(c1Cl)C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__