AC89364
723339-63-7 | Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC89364
ChemicalName
Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate
CasNumber
723339-63-7
MolecularFormula
C13H14N2O3
MolecularWeight
246.2619
MdlNumber
MFCD07357353
Smiles
CCOC(=O)c1n[nH]c(c1)c1cccc(c1)OC
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AC89364
ChemicalName: Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate
CasNumber: 723339-63-7
MolecularFormula: C13H14N2O3
MolecularWeight: 246.2619
MdlNumber: MFCD07357353
Smiles: CCOC(=O)c1n[nH]c(c1)c1cccc(c1)OC
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AC89364
ChemicalName:
Ethyl 3-(3-methoxyphenyl)pyrazole-5-carboxylate
CasNumber:
723339-63-7
MolecularFormula:
C13H14N2O3
MolecularWeight:
246.2619
MdlNumber:
MFCD07357353
Smiles:
CCOC(=O)c1n[nH]c(c1)c1cccc(c1)OC
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1SC2=CC=NC2=N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1SC2=CC=NC2=N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC89371
ChemicalName: 3-Fluoro-5-iodobenzonitrile
CasNumber: 723294-75-5
MolecularFormula: C7H3FIN
MolecularWeight: 247.0082932
MdlNumber: MFCD04116468
Smiles: N#Cc1cc(F)cc(c1)I
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AC89371
ChemicalName:
3-Fluoro-5-iodobenzonitrile
CasNumber:
723294-75-5
MolecularFormula:
C7H3FIN
MolecularWeight:
247.0082932
MdlNumber:
MFCD04116468
Smiles:
N#Cc1cc(F)cc(c1)I
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AC89375
ChemicalName: 3-Pyrrolidinylcarbonylphenylboronic acid
CasNumber: 723281-53-6
MolecularFormula: C11H14BNO3
MolecularWeight: 219.0448
MdlNumber: MFCD04115685
Smiles: O=C(c1cccc(c1)B(O)O)N1CCCC1
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AC89375
ChemicalName:
3-Pyrrolidinylcarbonylphenylboronic acid
CasNumber:
723281-53-6
MolecularFormula:
C11H14BNO3
MolecularWeight:
219.0448
MdlNumber:
MFCD04115685
Smiles:
O=C(c1cccc(c1)B(O)O)N1CCCC1
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__