AE25151
1198401-58-9 | (E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)-acrylate
Manufacturer: A2B Chem
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CatalogNumber
AE25151
ChemicalName
(E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)-acrylate
CasNumber
1198401-58-9
MolecularFormula
C10H10ClNO2
MolecularWeight
211.6449
MdlNumber
MFCD13563056
Smiles
COC(=O)/C=C/c1cc(C)cnc1Cl
Complexity
230
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AE25151
ChemicalName: (E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)-acrylate
CasNumber: 1198401-58-9
MolecularFormula: C10H10ClNO2
MolecularWeight: 211.6449
MdlNumber: MFCD13563056
Smiles: COC(=O)/C=C/c1cc(C)cnc1Cl
Complexity: 230
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE25151
ChemicalName:
(E)-Methyl 3-(2-chloro-5-methylpyridin-3-yl)-acrylate
CasNumber:
1198401-58-9
MolecularFormula:
C10H10ClNO2
MolecularWeight:
211.6449
MdlNumber:
MFCD13563056
Smiles:
COC(=O)/C=C/c1cc(C)cnc1Cl
Complexity:
230
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AE25152
ChemicalName: 3-(4-Methoxy-2-methylphenyl)benzoic acid
CasNumber: 1178070-12-6
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD11920068
Smiles: COc1ccc(c(c1)C)c1cccc(c1)C(=O)O
Complexity: 290
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE25152
ChemicalName:
3-(4-Methoxy-2-methylphenyl)benzoic acid
CasNumber:
1178070-12-6
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD11920068
Smiles:
COc1ccc(c(c1)C)c1cccc(c1)C(=O)O
Complexity:
290
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(sc1Br)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(sc1Br)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE25154
ChemicalName: Methyl 3-benzenesulfonamidobenzoate
CasNumber: 107922-46-3
MolecularFormula: C14H13NO4S
MolecularWeight: 291.32232000000005
MdlNumber: MFCD00121318
Smiles: COC(=O)c1cccc(c1)NS(=O)(=O)c1ccccc1
Complexity: 423
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AE25154
ChemicalName:
Methyl 3-benzenesulfonamidobenzoate
CasNumber:
107922-46-3
MolecularFormula:
C14H13NO4S
MolecularWeight:
291.32232000000005
MdlNumber:
MFCD00121318
Smiles:
COC(=O)c1cccc(c1)NS(=O)(=O)c1ccccc1
Complexity:
423
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.4