AF56203
34040-64-7 | Methyl 4-(chloromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF56203
ChemicalName
Methyl 4-(chloromethyl)benzoate
CasNumber
34040-64-7
MolecularFormula
C9H9ClO2
MolecularWeight
184.61956000000004
MdlNumber
MFCD00511224
Smiles
ClCc1ccc(cc1)C(=O)OC
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AF56203
ChemicalName: Methyl 4-(chloromethyl)benzoate
CasNumber: 34040-64-7
MolecularFormula: C9H9ClO2
MolecularWeight: 184.61956000000004
MdlNumber: MFCD00511224
Smiles: ClCc1ccc(cc1)C(=O)OC
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AF56203
ChemicalName:
Methyl 4-(chloromethyl)benzoate
CasNumber:
34040-64-7
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.61956000000004
MdlNumber:
MFCD00511224
Smiles:
ClCc1ccc(cc1)C(=O)OC
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(cc2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].O
Complexity: 501
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(cc2c1ccc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].O
Complexity:
501
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)S(=O)(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)S(=O)(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF56206
ChemicalName: 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CasNumber: 41034-52-0
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD01318704
Smiles: OC(=O)C1NCCc2c1cccc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: -1.2
CatalogNumber:
AF56206
ChemicalName:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid
CasNumber:
41034-52-0
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD01318704
Smiles:
OC(=O)C1NCCc2c1cccc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
-1.2