AI57525
859232-71-6 | 4-Bromo-2-(methoxycarbonylmethyl)benzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AI57525
ChemicalName
4-Bromo-2-(methoxycarbonylmethyl)benzenesulfonamide
CasNumber
859232-71-6
MolecularFormula
C9H10BrNO4S
MolecularWeight
308.149
MdlNumber
MFCD25967952
Smiles
COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1
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CatalogNumber: AI57525
ChemicalName: 4-Bromo-2-(methoxycarbonylmethyl)benzenesulfonamide
CasNumber: 859232-71-6
MolecularFormula: C9H10BrNO4S
MolecularWeight: 308.149
MdlNumber: MFCD25967952
Smiles: COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AI57525
ChemicalName:
4-Bromo-2-(methoxycarbonylmethyl)benzenesulfonamide
CasNumber:
859232-71-6
MolecularFormula:
C9H10BrNO4S
MolecularWeight:
308.149
MdlNumber:
MFCD25967952
Smiles:
COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: AI57526
ChemicalName: 5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber: 85929-41-5
MolecularFormula: C8H5ClN2O2
MolecularWeight: 196.5905
MdlNumber: MFCD11046709
Smiles: Clc1cccc(c1)c1n[nH]c(=O)o1
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AI57526
ChemicalName:
5-(3-Chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CasNumber:
85929-41-5
MolecularFormula:
C8H5ClN2O2
MolecularWeight:
196.5905
MdlNumber:
MFCD11046709
Smiles:
Clc1cccc(c1)c1n[nH]c(=O)o1
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
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Smiles: COC(=O)c1cc(Br)c(cc1C(=O)OC)Br
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COC(=O)c1cc(Br)c(cc1C(=O)OC)Br
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Smiles: [O-][N+](=O)c1cnc(nc1NCC(=O)OC)Cl
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Smiles:
[O-][N+](=O)c1cnc(nc1NCC(=O)OC)Cl
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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