AG37375
55696-50-9 | tert-Butyl 4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG37375
ChemicalName
tert-Butyl 4-cyanobenzoate
CasNumber
55696-50-9
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD11041298
Smiles
N#Cc1ccc(cc1)C(=O)OC(C)(C)C
NscNumber
114973
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AG37375
ChemicalName: tert-Butyl 4-cyanobenzoate
CasNumber: 55696-50-9
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD11041298
Smiles: N#Cc1ccc(cc1)C(=O)OC(C)(C)C
NscNumber: 114973
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AG37375
ChemicalName:
tert-Butyl 4-cyanobenzoate
CasNumber:
55696-50-9
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD11041298
Smiles:
N#Cc1ccc(cc1)C(=O)OC(C)(C)C
NscNumber:
114973
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.5
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Smiles: COc1ccc2c(c1)CC(C)N(CC2)CCc1ccc(cc1)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc2c(c1)CC(C)N(CC2)CCc1ccc(cc1)N
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Complexity:
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RotatableBondCount:
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Smiles: O=C(c1occc1C)Nc1ccc(cc1)C(=O)O
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Smiles:
O=C(c1occc1C)Nc1ccc(cc1)C(=O)O
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc(C)ccc1C(=O)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C)ccc1C(=O)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__