AB49034
52178-50-4 | Methyl 3-formylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB49034
ChemicalName
Methyl 3-formylbenzoate
CasNumber
52178-50-4
MolecularFormula
C9H8O3
MolecularWeight
164.158
MdlNumber
MFCD00189379
Smiles
COC(=O)c1cccc(c1)C=O
Complexity
177
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB49034
ChemicalName: Methyl 3-formylbenzoate
CasNumber: 52178-50-4
MolecularFormula: C9H8O3
MolecularWeight: 164.158
MdlNumber: MFCD00189379
Smiles: COC(=O)c1cccc(c1)C=O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB49034
ChemicalName:
Methyl 3-formylbenzoate
CasNumber:
52178-50-4
MolecularFormula:
C9H8O3
MolecularWeight:
164.158
MdlNumber:
MFCD00189379
Smiles:
COC(=O)c1cccc(c1)C=O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49036
ChemicalName: 5-Bromoquinoline-8-carbonitrile
CasNumber: 507476-70-2
MolecularFormula: C10H5BrN2
MolecularWeight: 233.0641
MdlNumber: MFCD21340269
Smiles: N#Cc1ccc(c2c1nccc2)Br
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
AB49036
ChemicalName:
5-Bromoquinoline-8-carbonitrile
CasNumber:
507476-70-2
MolecularFormula:
C10H5BrN2
MolecularWeight:
233.0641
MdlNumber:
MFCD21340269
Smiles:
N#Cc1ccc(c2c1nccc2)Br
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AB49037
ChemicalName: 2-Chloroethyl tetradecanoate
CasNumber: 51479-36-8
MolecularFormula: C16H31ClO2
MolecularWeight: 290.8691
MdlNumber: MFCD00060085
Smiles: CCCCCCCCCCCCCC(=O)OCCCl
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 15
Xlogp3: 7
CatalogNumber:
AB49037
ChemicalName:
2-Chloroethyl tetradecanoate
CasNumber:
51479-36-8
MolecularFormula:
C16H31ClO2
MolecularWeight:
290.8691
MdlNumber:
MFCD00060085
Smiles:
CCCCCCCCCCCCCC(=O)OCCCl
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
15
Xlogp3:
7