AB31051
2645-02-5 | Methyl 2-[(4-methylbenzene)sulfonamido]acetate
Manufacturer: A2B Chem
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CatalogNumber
AB31051
ChemicalName
Methyl 2-[(4-methylbenzene)sulfonamido]acetate
CasNumber
2645-02-5
MolecularFormula
C10H13NO4S
MolecularWeight
243.27952
MdlNumber
MFCD00558890
Smiles
COC(=O)CNS(=O)(=O)c1ccc(cc1)C
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AB31051
ChemicalName: Methyl 2-[(4-methylbenzene)sulfonamido]acetate
CasNumber: 2645-02-5
MolecularFormula: C10H13NO4S
MolecularWeight: 243.27952
MdlNumber: MFCD00558890
Smiles: COC(=O)CNS(=O)(=O)c1ccc(cc1)C
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AB31051
ChemicalName:
Methyl 2-[(4-methylbenzene)sulfonamido]acetate
CasNumber:
2645-02-5
MolecularFormula:
C10H13NO4S
MolecularWeight:
243.27952
MdlNumber:
MFCD00558890
Smiles:
COC(=O)CNS(=O)(=O)c1ccc(cc1)C
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(oc1N)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(oc1N)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB31053
ChemicalName: 2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CasNumber: 26454-82-0
MolecularFormula: C11H7BrN2O
MolecularWeight: 263.0901
MdlNumber: MFCD10003246
Smiles: N#CC(CC(=O)c1ccc(cc1)Br)C#N
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB31053
ChemicalName:
2-(2-(4-Bromophenyl)-2-oxoethyl)malononitrile
CasNumber:
26454-82-0
MolecularFormula:
C11H7BrN2O
MolecularWeight:
263.0901
MdlNumber:
MFCD10003246
Smiles:
N#CC(CC(=O)c1ccc(cc1)Br)C#N
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)C1c2ccccc2Oc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)C1c2ccccc2Oc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__