AB18543
20829-96-3 | 6-Chloroisatoic anhydride
Manufacturer: A2B Chem
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CatalogNumber
AB18543
ChemicalName
6-Chloroisatoic anhydride
CasNumber
20829-96-3
MolecularFormula
C8H4ClNO3
MolecularWeight
197.5753
MdlNumber
MFCD09032504
Smiles
O=c1oc(=O)c2c([nH]1)cccc2Cl
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
1.6
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CatalogNumber: AB18543
ChemicalName: 6-Chloroisatoic anhydride
CasNumber: 20829-96-3
MolecularFormula: C8H4ClNO3
MolecularWeight: 197.5753
MdlNumber: MFCD09032504
Smiles: O=c1oc(=O)c2c([nH]1)cccc2Cl
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 1.6
CatalogNumber:
AB18543
ChemicalName:
6-Chloroisatoic anhydride
CasNumber:
20829-96-3
MolecularFormula:
C8H4ClNO3
MolecularWeight:
197.5753
MdlNumber:
MFCD09032504
Smiles:
O=c1oc(=O)c2c([nH]1)cccc2Cl
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
1.6
CatalogNumber: AB18544
ChemicalName: Cyclo(-trp-trp)
CasNumber: 20829-55-4
MolecularFormula: C22H20N4O2
MolecularWeight: 372.4198
MdlNumber: MFCD00237621
Smiles: O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Complexity: 559
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 4
Xlogp3: 2.9
CatalogNumber:
AB18544
ChemicalName:
Cyclo(-trp-trp)
CasNumber:
20829-55-4
MolecularFormula:
C22H20N4O2
MolecularWeight:
372.4198
MdlNumber:
MFCD00237621
Smiles:
O=C1N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H]1Cc1c[nH]c2c1cccc2
Complexity:
559
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
4
Xlogp3:
2.9
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Smiles: CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.[Ca+2]
Complexity: __
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Smiles:
CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.CC(=O)CNc1c(I)c(NC(=O)C)c(c(c1I)C(=O)[O-])I.[Ca+2]
Complexity:
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HydrogenBondDonorCount:
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Xlogp3:
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Smiles: COC(=O)CCCc1cccs1
Complexity: __
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MolecularFormula:
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Smiles:
COC(=O)CCCc1cccs1
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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Xlogp3:
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