AB28875
260809-26-5 | tert-Butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AB28875
ChemicalName
tert-Butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
CasNumber
260809-26-5
MolecularFormula
C13H18BrNO2
MolecularWeight
300.1915
MdlNumber
MFCD04116333
Smiles
CN(C(=O)OC(C)(C)C)Cc1ccc(cc1)Br
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AB28875
ChemicalName: tert-Butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
CasNumber: 260809-26-5
MolecularFormula: C13H18BrNO2
MolecularWeight: 300.1915
MdlNumber: MFCD04116333
Smiles: CN(C(=O)OC(C)(C)C)Cc1ccc(cc1)Br
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AB28875
ChemicalName:
tert-Butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
CasNumber:
260809-26-5
MolecularFormula:
C13H18BrNO2
MolecularWeight:
300.1915
MdlNumber:
MFCD04116333
Smiles:
CN(C(=O)OC(C)(C)C)Cc1ccc(cc1)Br
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: AB28876
ChemicalName: methyl 3-bromo-2-methoxybenzoate
CasNumber: 260806-90-4
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD11042778
Smiles: COC(=O)c1cccc(c1OC)Br
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB28876
ChemicalName:
methyl 3-bromo-2-methoxybenzoate
CasNumber:
260806-90-4
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD11042778
Smiles:
COC(=O)c1cccc(c1OC)Br
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: OC[C@H]1O[C@@H](OCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity: __
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Smiles:
OC[C@H]1O[C@@H](OCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC[C@H]1O[C@@H](OCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC[C@H]1O[C@@H](OCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__