AA74697
149506-35-4 | 1,3-Dimethyl 2-(4-bromophenyl)propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AA74697
ChemicalName
1,3-Dimethyl 2-(4-bromophenyl)propanedioate
CasNumber
149506-35-4
MolecularFormula
C11H11BrO4
MolecularWeight
287.1066
MdlNumber
MFCD06204131
Smiles
COC(=O)C(c1ccc(cc1)Br)C(=O)OC
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AA74697
ChemicalName: 1,3-Dimethyl 2-(4-bromophenyl)propanedioate
CasNumber: 149506-35-4
MolecularFormula: C11H11BrO4
MolecularWeight: 287.1066
MdlNumber: MFCD06204131
Smiles: COC(=O)C(c1ccc(cc1)Br)C(=O)OC
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AA74697
ChemicalName:
1,3-Dimethyl 2-(4-bromophenyl)propanedioate
CasNumber:
149506-35-4
MolecularFormula:
C11H11BrO4
MolecularWeight:
287.1066
MdlNumber:
MFCD06204131
Smiles:
COC(=O)C(c1ccc(cc1)Br)C(=O)OC
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: AA74698
ChemicalName: Methyl 3-(3-nitrophenyl)benzoate
CasNumber: 149506-24-1
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD06803017
Smiles: COC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA74698
ChemicalName:
Methyl 3-(3-nitrophenyl)benzoate
CasNumber:
149506-24-1
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD06803017
Smiles:
COC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: NC1CCc2c(C1)ccc(c2)C(=O)O
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NC1CCc2c(C1)ccc(c2)C(=O)O
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Smiles: O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
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Smiles:
O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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