AG79323
57479-73-9 | 4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79323
ChemicalName
4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid
CasNumber
57479-73-9
MolecularFormula
C8H6Cl2O5S
MolecularWeight
285.1012
MdlNumber
MFCD22565622
Smiles
COc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)Cl
Complexity
363
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AG79323
ChemicalName: 4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid
CasNumber: 57479-73-9
MolecularFormula: C8H6Cl2O5S
MolecularWeight: 285.1012
MdlNumber: MFCD22565622
Smiles: COc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)Cl
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AG79323
ChemicalName:
4-Chloro-5-(chlorosulfonyl)-2-methoxybenzoic acid
CasNumber:
57479-73-9
MolecularFormula:
C8H6Cl2O5S
MolecularWeight:
285.1012
MdlNumber:
MFCD22565622
Smiles:
COc1cc(Cl)c(cc1C(=O)O)S(=O)(=O)Cl
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)CCC(=O)c1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COC(=O)CCC(=O)c1ccccc1N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Cc1cc2c([nH]1)cc(cc2)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Cc1cc2c([nH]1)cc(cc2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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