AG69673
60032-95-3 | 2-Chloro-4,5-dimethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG69673
ChemicalName
2-Chloro-4,5-dimethoxybenzoic acid
CasNumber
60032-95-3
MolecularFormula
C9H9ClO4
MolecularWeight
216.6184
MdlNumber
MFCD00079727
Smiles
COc1cc(C(=O)O)c(cc1OC)Cl
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AG69673
ChemicalName: 2-Chloro-4,5-dimethoxybenzoic acid
CasNumber: 60032-95-3
MolecularFormula: C9H9ClO4
MolecularWeight: 216.6184
MdlNumber: MFCD00079727
Smiles: COc1cc(C(=O)O)c(cc1OC)Cl
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AG69673
ChemicalName:
2-Chloro-4,5-dimethoxybenzoic acid
CasNumber:
60032-95-3
MolecularFormula:
C9H9ClO4
MolecularWeight:
216.6184
MdlNumber:
MFCD00079727
Smiles:
COc1cc(C(=O)O)c(cc1OC)Cl
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AG69674
ChemicalName: 2-Chloro-5-nitronicotinamide
CasNumber: 60524-15-4
MolecularFormula: C6H4ClN3O3
MolecularWeight: 201.5673
MdlNumber: MFCD01860226
Smiles: [O-][N+](=O)c1cnc(c(c1)C(=O)N)Cl
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AG69674
ChemicalName:
2-Chloro-5-nitronicotinamide
CasNumber:
60524-15-4
MolecularFormula:
C6H4ClN3O3
MolecularWeight:
201.5673
MdlNumber:
MFCD01860226
Smiles:
[O-][N+](=O)c1cnc(c(c1)C(=O)N)Cl
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: CCCCC(CC)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N
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CCCCC(CC)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N
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Smiles: Fc1nc2c([nH]1)cccc2
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Smiles:
Fc1nc2c([nH]1)cccc2
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