AI51336
50390-76-6 | 2-Methoxy-5-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI51336
ChemicalName
2-Methoxy-5-(methylsulfonyl)benzoic acid
CasNumber
50390-76-6
MolecularFormula
C9H10O5S
MolecularWeight
230.2377
MdlNumber
MFCD01317544
Smiles
COc1ccc(cc1C(=O)O)S(=O)(=O)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AI51336
ChemicalName: 2-Methoxy-5-(methylsulfonyl)benzoic acid
CasNumber: 50390-76-6
MolecularFormula: C9H10O5S
MolecularWeight: 230.2377
MdlNumber: MFCD01317544
Smiles: COc1ccc(cc1C(=O)O)S(=O)(=O)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AI51336
ChemicalName:
2-Methoxy-5-(methylsulfonyl)benzoic acid
CasNumber:
50390-76-6
MolecularFormula:
C9H10O5S
MolecularWeight:
230.2377
MdlNumber:
MFCD01317544
Smiles:
COc1ccc(cc1C(=O)O)S(=O)(=O)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: AI51337
ChemicalName: 2,5-Dichloro-4-aminophenol
CasNumber: 50392-39-7
MolecularFormula: C6H5Cl2NO
MolecularWeight: 178.016
MdlNumber: MFCD09743861
Smiles: Nc1cc(Cl)c(cc1Cl)O
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AI51337
ChemicalName:
2,5-Dichloro-4-aminophenol
CasNumber:
50392-39-7
MolecularFormula:
C6H5Cl2NO
MolecularWeight:
178.016
MdlNumber:
MFCD09743861
Smiles:
Nc1cc(Cl)c(cc1Cl)O
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI51339
ChemicalName: 2-Oxochromene-6-carbonitrile
CasNumber: 50396-61-7
MolecularFormula: C10H5NO2
MolecularWeight: 171.1522
MdlNumber: MFCD27991690
Smiles: N#Cc1ccc2c(c1)ccc(=O)o2
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AI51339
ChemicalName:
2-Oxochromene-6-carbonitrile
CasNumber:
50396-61-7
MolecularFormula:
C10H5NO2
MolecularWeight:
171.1522
MdlNumber:
MFCD27991690
Smiles:
N#Cc1ccc2c(c1)ccc(=O)o2
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1