AB63402
50790-30-2 | 3-(Methanesulfonylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB63402
ChemicalName
3-(Methanesulfonylamino)benzonitrile
CasNumber
50790-30-2
MolecularFormula
C8H8N2O2S
MolecularWeight
196.2263
MdlNumber
MFCD00116199
Smiles
N#Cc1cccc(c1)NS(=O)(=O)C
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB63402
ChemicalName: 3-(Methanesulfonylamino)benzonitrile
CasNumber: 50790-30-2
MolecularFormula: C8H8N2O2S
MolecularWeight: 196.2263
MdlNumber: MFCD00116199
Smiles: N#Cc1cccc(c1)NS(=O)(=O)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB63402
ChemicalName:
3-(Methanesulfonylamino)benzonitrile
CasNumber:
50790-30-2
MolecularFormula:
C8H8N2O2S
MolecularWeight:
196.2263
MdlNumber:
MFCD00116199
Smiles:
N#Cc1cccc(c1)NS(=O)(=O)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB63403
ChemicalName: 3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber: 64152-09-6
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD09026978
Smiles: COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB63403
ChemicalName:
3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber:
64152-09-6
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD09026978
Smiles:
COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB63404
ChemicalName: 3-(Methoxycarbonyl)furan-2-boronic acid
CasNumber: 868286-61-7
MolecularFormula: C6H7BO5
MolecularWeight: 169.9278
MdlNumber: MFCD12025980
Smiles: COC(=O)c1ccoc1B(O)O
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB63404
ChemicalName:
3-(Methoxycarbonyl)furan-2-boronic acid
CasNumber:
868286-61-7
MolecularFormula:
C6H7BO5
MolecularWeight:
169.9278
MdlNumber:
MFCD12025980
Smiles:
COC(=O)c1ccoc1B(O)O
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: COCOCCC=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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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:
COCOCCC=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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