AG65485
621-03-4 | 2-Cyanoacetanilide
Manufacturer: A2B Chem
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CatalogNumber
AG65485
ChemicalName
2-Cyanoacetanilide
CasNumber
621-03-4
MolecularFormula
C9H8N2O
MolecularWeight
160.1726
MdlNumber
MFCD00019840
Smiles
N#CCC(=O)Nc1ccccc1
NscNumber
6313
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AG65485
ChemicalName: 2-Cyanoacetanilide
CasNumber: 621-03-4
MolecularFormula: C9H8N2O
MolecularWeight: 160.1726
MdlNumber: MFCD00019840
Smiles: N#CCC(=O)Nc1ccccc1
NscNumber: 6313
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AG65485
ChemicalName:
2-Cyanoacetanilide
CasNumber:
621-03-4
MolecularFormula:
C9H8N2O
MolecularWeight:
160.1726
MdlNumber:
MFCD00019840
Smiles:
N#CCC(=O)Nc1ccccc1
NscNumber:
6313
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: CC(N[Si](NC(C)C)(C)C)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(N[Si](NC(C)C)(C)C)C
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Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[K]
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Complexity: __
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MolecularWeight:
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Smiles:
CCOC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[K]
NscNumber:
__
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCN(N(N=O)[O-])CC.CC[NH2+]CC
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HeavyAtomCount: __
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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:
CCN(N(N=O)[O-])CC.CC[NH2+]CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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