AI48423
34403-74-2 | 8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
Manufacturer: A2B Chem
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CatalogNumber
AI48423
ChemicalName
8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
CasNumber
34403-74-2
MolecularFormula
C12H13BrO2
MolecularWeight
269.1344
MdlNumber
MFCD30478927
Smiles
COc1c(C)cc2c(c1Br)C(=O)CCC2
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AI48423
ChemicalName: 8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
CasNumber: 34403-74-2
MolecularFormula: C12H13BrO2
MolecularWeight: 269.1344
MdlNumber: MFCD30478927
Smiles: COc1c(C)cc2c(c1Br)C(=O)CCC2
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AI48423
ChemicalName:
8-Bromo-7-methoxy-6-methyl-3,4-dihydronaphthalen-1(2h)-one
CasNumber:
34403-74-2
MolecularFormula:
C12H13BrO2
MolecularWeight:
269.1344
MdlNumber:
MFCD30478927
Smiles:
COc1c(C)cc2c(c1Br)C(=O)CCC2
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity: 437
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@H](C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Complexity:
437
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Cc1csc(n1)Cc1ccc(cc1)Br
Complexity: 295
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Cc1csc(n1)Cc1ccc(cc1)Br
Complexity:
295
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1onc(c1[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1onc(c1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__