AB71017
3970-13-6 | Benzyl chloromethyl sulfide
Manufacturer: A2B Chem
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CatalogNumber
AB71017
ChemicalName
Benzyl chloromethyl sulfide
CasNumber
3970-13-6
MolecularFormula
C8H9ClS
MolecularWeight
172.6751
MdlNumber
MFCD02093436
Smiles
ClCSCc1ccccc1
NscNumber
266050
Complexity
79.3
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AB71017
ChemicalName: Benzyl chloromethyl sulfide
CasNumber: 3970-13-6
MolecularFormula: C8H9ClS
MolecularWeight: 172.6751
MdlNumber: MFCD02093436
Smiles: ClCSCc1ccccc1
NscNumber: 266050
Complexity: 79.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB71017
ChemicalName:
Benzyl chloromethyl sulfide
CasNumber:
3970-13-6
MolecularFormula:
C8H9ClS
MolecularWeight:
172.6751
MdlNumber:
MFCD02093436
Smiles:
ClCSCc1ccccc1
NscNumber:
266050
Complexity:
79.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(/C=C/c1ccccc1)OCc1ccccc1
NscNumber: __
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(/C=C/c1ccccc1)OCc1ccccc1
NscNumber:
__
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=O)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(=O)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB71020
ChemicalName: D-(-)-Mandelic acid benzyl ester
CasNumber: 97415-09-3
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD00674031
Smiles: O[C@H](c1ccccc1)C(=O)OCc1ccccc1
NscNumber: __
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB71020
ChemicalName:
D-(-)-Mandelic acid benzyl ester
CasNumber:
97415-09-3
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD00674031
Smiles:
O[C@H](c1ccccc1)C(=O)OCc1ccccc1
NscNumber:
__
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.7