AI09117
113100-56-4 | 3-Methoxy-1-methyl-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI09117
ChemicalName
3-Methoxy-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber
113100-56-4
MolecularFormula
C6H8N2O3
MolecularWeight
156.1393
MdlNumber
MFCD11986419
Smiles
COc1nn(cc1C(=O)O)C
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AI09117
ChemicalName: 3-Methoxy-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber: 113100-56-4
MolecularFormula: C6H8N2O3
MolecularWeight: 156.1393
MdlNumber: MFCD11986419
Smiles: COc1nn(cc1C(=O)O)C
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AI09117
ChemicalName:
3-Methoxy-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber:
113100-56-4
MolecularFormula:
C6H8N2O3
MolecularWeight:
156.1393
MdlNumber:
MFCD11986419
Smiles:
COc1nn(cc1C(=O)O)C
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AI09118
ChemicalName: 6-(Trifluoromethoxy)pyridin-2-amine
CasNumber: 1131007-45-8
MolecularFormula: C6H5F3N2O
MolecularWeight: 178.1119
MdlNumber: MFCD20542914
Smiles: FC(Oc1cccc(n1)N)(F)F
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AI09118
ChemicalName:
6-(Trifluoromethoxy)pyridin-2-amine
CasNumber:
1131007-45-8
MolecularFormula:
C6H5F3N2O
MolecularWeight:
178.1119
MdlNumber:
MFCD20542914
Smiles:
FC(Oc1cccc(n1)N)(F)F
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
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Smiles: CCC(C(=O)O)Oc1ccc(cc1)C(C)(C)C
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CCC(C(=O)O)Oc1ccc(cc1)C(C)(C)C
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Smiles: [O-][N+](=O)c1nc(Cl)c(cc1O)Br
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[O-][N+](=O)c1nc(Cl)c(cc1O)Br
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