AA63916
145878-50-8 | tert-Butyl N-(3-cyanophenyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AA63916
ChemicalName
tert-Butyl N-(3-cyanophenyl)carbamate
CasNumber
145878-50-8
MolecularFormula
C12H14N2O2
MolecularWeight
218.2518
MdlNumber
MFCD07787223
Smiles
N#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AA63916
ChemicalName: tert-Butyl N-(3-cyanophenyl)carbamate
CasNumber: 145878-50-8
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD07787223
Smiles: N#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA63916
ChemicalName:
tert-Butyl N-(3-cyanophenyl)carbamate
CasNumber:
145878-50-8
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD07787223
Smiles:
N#Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: Oc1c(I)cc(cc1I)/C=C/C1=[N+](CCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2
Complexity: __
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Smiles:
Oc1c(I)cc(cc1I)/C=C/C1=[N+](CCCS(=O)(=O)[O-])c2c(C1(C)C)cccc2
Complexity:
__
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Smiles: OCCS(=O)(=O)Cc1ccc(cc1)N
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCCS(=O)(=O)Cc1ccc(cc1)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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