AV18858
1047630-55-6 | 5-Chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18858
ChemicalName
5-Chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber
1047630-55-6
MolecularFormula
C9H7ClN2O2S
MolecularWeight
242.6821
MdlNumber
MFCD30489217
Smiles
Clc1sc(cc1c1ccnn1C)C(=O)O
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AV18858
ChemicalName: 5-Chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber: 1047630-55-6
MolecularFormula: C9H7ClN2O2S
MolecularWeight: 242.6821
MdlNumber: MFCD30489217
Smiles: Clc1sc(cc1c1ccnn1C)C(=O)O
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AV18858
ChemicalName:
5-Chloro-4-(1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxylic acid
CasNumber:
1047630-55-6
MolecularFormula:
C9H7ClN2O2S
MolecularWeight:
242.6821
MdlNumber:
MFCD30489217
Smiles:
Clc1sc(cc1c1ccnn1C)C(=O)O
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2c(c1)c1cc(Br)ccc1o2
Complexity: 323
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2c(c1)c1cc(Br)ccc1o2
Complexity:
323
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: AV18860
ChemicalName: 2,4-Dihydroxy-3-methoxybenzaldehyde
CasNumber: 58922-29-5
MolecularFormula: C8H8O4
MolecularWeight: 168.1467
MdlNumber: MFCD19301266
Smiles: COc1c(O)ccc(c1O)C=O
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AV18860
ChemicalName:
2,4-Dihydroxy-3-methoxybenzaldehyde
CasNumber:
58922-29-5
MolecularFormula:
C8H8O4
MolecularWeight:
168.1467
MdlNumber:
MFCD19301266
Smiles:
COc1c(O)ccc(c1O)C=O
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__