AI69015
1268246-12-3 | Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI69015
ChemicalName
Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
CasNumber
1268246-12-3
MolecularFormula
C16H13ClO3
MolecularWeight
288.72562000000005
MdlNumber
MFCD29921915
Smiles
COC(=O)c1ccc(cc1)C=Cc1ccc(cc1Cl)O
Complexity
348
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
4.3
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CatalogNumber: AI69015
ChemicalName: Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
CasNumber: 1268246-12-3
MolecularFormula: C16H13ClO3
MolecularWeight: 288.72562000000005
MdlNumber: MFCD29921915
Smiles: COC(=O)c1ccc(cc1)C=Cc1ccc(cc1Cl)O
Complexity: 348
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.3
CatalogNumber:
AI69015
ChemicalName:
Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
CasNumber:
1268246-12-3
MolecularFormula:
C16H13ClO3
MolecularWeight:
288.72562000000005
MdlNumber:
MFCD29921915
Smiles:
COC(=O)c1ccc(cc1)C=Cc1ccc(cc1Cl)O
Complexity:
348
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(n(n1)C)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(n(n1)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCCN(CC1)c1cncc(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCCN(CC1)c1cncc(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](c1cccc(c1)Cl)NC(=O)OC(C)(C)C
Complexity: 278
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](c1cccc(c1)Cl)NC(=O)OC(C)(C)C
Complexity:
278
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4