AI40244
1820607-87-1 | (Acetyloxy)[2-(acetyloxy)-3-bromophenyl]methyl acetate
Manufacturer: A2B Chem
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CatalogNumber
AI40244
ChemicalName
(Acetyloxy)[2-(acetyloxy)-3-bromophenyl]methyl acetate
CasNumber
1820607-87-1
MolecularFormula
C13H13BrO6
MolecularWeight
345.1427
MdlNumber
MFCD26383419
Smiles
CC(=O)OC(c1cccc(c1OC(=O)C)Br)OC(=O)C
Complexity
367
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
RotatableBondCount
7
Xlogp3
2.1
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CatalogNumber: AI40244
ChemicalName: (Acetyloxy)[2-(acetyloxy)-3-bromophenyl]methyl acetate
CasNumber: 1820607-87-1
MolecularFormula: C13H13BrO6
MolecularWeight: 345.1427
MdlNumber: MFCD26383419
Smiles: CC(=O)OC(c1cccc(c1OC(=O)C)Br)OC(=O)C
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
Xlogp3: 2.1
CatalogNumber:
AI40244
ChemicalName:
(Acetyloxy)[2-(acetyloxy)-3-bromophenyl]methyl acetate
CasNumber:
1820607-87-1
MolecularFormula:
C13H13BrO6
MolecularWeight:
345.1427
MdlNumber:
MFCD26383419
Smiles:
CC(=O)OC(c1cccc(c1OC(=O)C)Br)OC(=O)C
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
Xlogp3:
2.1
CatalogNumber: AI40245
ChemicalName: 2-(Benzyloxy)-4-chloro-1-iodobenzene
CasNumber: 1820607-95-1
MolecularFormula: C13H10ClIO
MolecularWeight: 344.5754
MdlNumber: MFCD27981315
Smiles: Clc1ccc(c(c1)OCc1ccccc1)I
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 4.7
CatalogNumber:
AI40245
ChemicalName:
2-(Benzyloxy)-4-chloro-1-iodobenzene
CasNumber:
1820607-95-1
MolecularFormula:
C13H10ClIO
MolecularWeight:
344.5754
MdlNumber:
MFCD27981315
Smiles:
Clc1ccc(c(c1)OCc1ccccc1)I
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=C(C=C(C=C1)C2=CC(=CC=C2)C(=O)OC)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=C(C=C(C=C1)C2=CC(=CC=C2)C(=O)OC)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40248
ChemicalName: 4-Methanesulfonyl-3-methylbenzonitrile
CasNumber: 1820608-05-6
MolecularFormula: C9H9NO2S
MolecularWeight: 195.2383
MdlNumber: MFCD27981301
Smiles: N#Cc1ccc(c(c1)C)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AI40248
ChemicalName:
4-Methanesulfonyl-3-methylbenzonitrile
CasNumber:
1820608-05-6
MolecularFormula:
C9H9NO2S
MolecularWeight:
195.2383
MdlNumber:
MFCD27981301
Smiles:
N#Cc1ccc(c(c1)C)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.7