AD84683
89001-57-0 | 5-(Chlorosulfonyl)-2-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD84683
ChemicalName
5-(Chlorosulfonyl)-2-methylbenzoic acid
CasNumber
89001-57-0
MolecularFormula
C8H7ClO4S
MolecularWeight
234.65678000000003
MdlNumber
MFCD03989642
Smiles
OC(=O)c1cc(ccc1C)S(=O)(=O)Cl
NscNumber
210248
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AD84683
ChemicalName: 5-(Chlorosulfonyl)-2-methylbenzoic acid
CasNumber: 89001-57-0
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.65678000000003
MdlNumber: MFCD03989642
Smiles: OC(=O)c1cc(ccc1C)S(=O)(=O)Cl
NscNumber: 210248
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AD84683
ChemicalName:
5-(Chlorosulfonyl)-2-methylbenzoic acid
CasNumber:
89001-57-0
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.65678000000003
MdlNumber:
MFCD03989642
Smiles:
OC(=O)c1cc(ccc1C)S(=O)(=O)Cl
NscNumber:
210248
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(n(n1)CC(=O)O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Cc1cc(n(n1)CC(=O)O)N
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCc1nn(c(c1c1ccccc1)N)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCc1nn(c(c1c1ccccc1)N)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCN(C(=O)c1c(F)c(F)c(c(c1F)F)F)CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(C(=O)c1c(F)c(F)c(c(c1F)F)F)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__