AA71635
14437-03-7 | Methyl tosylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AA71635
ChemicalName
Methyl tosylcarbamate
CasNumber
14437-03-7
MolecularFormula
C9H11NO4S
MolecularWeight
229.2529
MdlNumber
MFCD00453717
Smiles
COC(=O)NS(=O)(=O)c1ccc(cc1)C
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AA71635
ChemicalName: Methyl tosylcarbamate
CasNumber: 14437-03-7
MolecularFormula: C9H11NO4S
MolecularWeight: 229.2529
MdlNumber: MFCD00453717
Smiles: COC(=O)NS(=O)(=O)c1ccc(cc1)C
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AA71635
ChemicalName:
Methyl tosylcarbamate
CasNumber:
14437-03-7
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.2529
MdlNumber:
MFCD00453717
Smiles:
COC(=O)NS(=O)(=O)c1ccc(cc1)C
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)c1ccc(cc1)Br)C=C3)c1ccc(cc1)c1ccc(cc1)Br)[nH]2)c1ccc(cc1)c1ccc(cc1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)c1ccc(cc1)Br)C=C3)c1ccc(cc1)c1ccc(cc1)Br)[nH]2)c1ccc(cc1)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCC(=O)Nc1ccccc1C(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)Nc1ccccc1C(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__