AI53119
58671-77-5 | 2,6-Dichloro-3-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI53119
ChemicalName
2,6-Dichloro-3-methylbenzoic acid
CasNumber
58671-77-5
MolecularFormula
C8H6Cl2O2
MolecularWeight
205.038
MdlNumber
MFCD00089442
Smiles
OC(=O)c1c(Cl)ccc(c1Cl)C
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AI53119
ChemicalName: 2,6-Dichloro-3-methylbenzoic acid
CasNumber: 58671-77-5
MolecularFormula: C8H6Cl2O2
MolecularWeight: 205.038
MdlNumber: MFCD00089442
Smiles: OC(=O)c1c(Cl)ccc(c1Cl)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AI53119
ChemicalName:
2,6-Dichloro-3-methylbenzoic acid
CasNumber:
58671-77-5
MolecularFormula:
C8H6Cl2O2
MolecularWeight:
205.038
MdlNumber:
MFCD00089442
Smiles:
OC(=O)c1c(Cl)ccc(c1Cl)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AI53120
ChemicalName: Ethyl 2-amino-5-methylbenzoate
CasNumber: 58677-05-7
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD00115547
Smiles: CCOC(=O)c1cc(C)ccc1N
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI53120
ChemicalName:
Ethyl 2-amino-5-methylbenzoate
CasNumber:
58677-05-7
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD00115547
Smiles:
CCOC(=O)c1cc(C)ccc1N
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
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Smiles: BrCc1ccc2c(c1)c(O)nc(n2)N
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Smiles:
BrCc1ccc2c(c1)c(O)nc(n2)N
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Smiles: BrCCCN1CCCCC1.Br
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Smiles:
BrCCCN1CCCCC1.Br
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