AI49501
383185-76-0 | tert-Butyl 3-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI49501
ChemicalName
tert-Butyl 3-cyanobenzoate
CasNumber
383185-76-0
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD16620851
Smiles
N#Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity
282
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AI49501
ChemicalName: tert-Butyl 3-cyanobenzoate
CasNumber: 383185-76-0
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD16620851
Smiles: N#Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI49501
ChemicalName:
tert-Butyl 3-cyanobenzoate
CasNumber:
383185-76-0
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD16620851
Smiles:
N#Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: Fc1cc(N)cc(c1N1CCS(=O)(=O)CC1)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Fc1cc(N)cc(c1N1CCS(=O)(=O)CC1)F
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Smiles: FC1(F)C(F)(F)[C@]([C@@]1(F)Cl)(F)Cl
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Smiles:
FC1(F)C(F)(F)[C@]([C@@]1(F)Cl)(F)Cl
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCn1cc(C(=O)O)c(=O)c2c1ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__