AG34948
478968-48-8 | Ethyl 3-methoxy-1h-pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG34948
ChemicalName
Ethyl 3-methoxy-1h-pyrazole-4-carboxylate
CasNumber
478968-48-8
MolecularFormula
C7H10N2O3
MolecularWeight
170.1659
MdlNumber
MFCD13689107
Smiles
CCOC(=O)c1c[nH]nc1OC
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AG34948
ChemicalName: Ethyl 3-methoxy-1h-pyrazole-4-carboxylate
CasNumber: 478968-48-8
MolecularFormula: C7H10N2O3
MolecularWeight: 170.1659
MdlNumber: MFCD13689107
Smiles: CCOC(=O)c1c[nH]nc1OC
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AG34948
ChemicalName:
Ethyl 3-methoxy-1h-pyrazole-4-carboxylate
CasNumber:
478968-48-8
MolecularFormula:
C7H10N2O3
MolecularWeight:
170.1659
MdlNumber:
MFCD13689107
Smiles:
CCOC(=O)c1c[nH]nc1OC
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: AG34949
ChemicalName: methyl 5-chloro-2-(methylamino)benzoate
CasNumber: 55150-07-7
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD07439818
Smiles: COC(=O)c1cc(Cl)ccc1NC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AG34949
ChemicalName:
methyl 5-chloro-2-(methylamino)benzoate
CasNumber:
55150-07-7
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD07439818
Smiles:
COC(=O)c1cc(Cl)ccc1NC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4
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Smiles: SCC1CC1
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SCC1CC1
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Smiles: Cc1ccc(cc1)/C/1=C/2\C=CC3=[N]2[Mn](Cl)[N]2=C(C=C/C/2=C(/c2n(c1cc2)C)\c1ccc(cc1)C)C(=c1n(c(=C3c2ccc(cc2)C)cc1)C)c1ccc(cc1)C
Complexity: __
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Smiles:
Cc1ccc(cc1)/C/1=C/2\C=CC3=[N]2[Mn](Cl)[N]2=C(C=C/C/2=C(/c2n(c1cc2)C)\c1ccc(cc1)C)C(=c1n(c(=C3c2ccc(cc2)C)cc1)C)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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