AB79355
220510-74-7 | tert-Butyl 3-(chloromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB79355
ChemicalName
tert-Butyl 3-(chloromethyl)benzoate
CasNumber
220510-74-7
MolecularFormula
C12H15ClO2
MolecularWeight
226.6993
MdlNumber
MFCD02180879
Smiles
ClCc1cccc(c1)C(=O)OC(C)(C)C
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AB79355
ChemicalName: tert-Butyl 3-(chloromethyl)benzoate
CasNumber: 220510-74-7
MolecularFormula: C12H15ClO2
MolecularWeight: 226.6993
MdlNumber: MFCD02180879
Smiles: ClCc1cccc(c1)C(=O)OC(C)(C)C
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AB79355
ChemicalName:
tert-Butyl 3-(chloromethyl)benzoate
CasNumber:
220510-74-7
MolecularFormula:
C12H15ClO2
MolecularWeight:
226.6993
MdlNumber:
MFCD02180879
Smiles:
ClCc1cccc(c1)C(=O)OC(C)(C)C
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CN(CC1F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CN(CC1F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB79357
ChemicalName: tert-Butyl 3-hydroxypropionate
CasNumber: 59854-11-4
MolecularFormula: C7H14O3
MolecularWeight: 146.18426
MdlNumber: MFCD04974574
Smiles: OCCC(=O)OC(C)(C)C
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AB79357
ChemicalName:
tert-Butyl 3-hydroxypropionate
CasNumber:
59854-11-4
MolecularFormula:
C7H14O3
MolecularWeight:
146.18426
MdlNumber:
MFCD04974574
Smiles:
OCCC(=O)OC(C)(C)C
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CCC(CC1)c1ccnc2c1[nH]cc2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1CCC(CC1)c1ccnc2c1[nH]cc2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__