AI51271
502841-91-0 | Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate
Manufacturer: A2B Chem
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CatalogNumber
AI51271
ChemicalName
Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate
CasNumber
502841-91-0
MolecularFormula
C13H16BrNO6
MolecularWeight
362.1732
MdlNumber
MFCD02663240
Smiles
OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)Br)N
Complexity
282
Covalently-bondedUnitCount
2
HeavyAtomCount
21
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI51271
ChemicalName: Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate
CasNumber: 502841-91-0
MolecularFormula: C13H16BrNO6
MolecularWeight: 362.1732
MdlNumber: MFCD02663240
Smiles: OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)Br)N
Complexity: 282
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI51271
ChemicalName:
Ethyl 3-amino-3-(3-bromophenyl)propanoate oxalate
CasNumber:
502841-91-0
MolecularFormula:
C13H16BrNO6
MolecularWeight:
362.1732
MdlNumber:
MFCD02663240
Smiles:
OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)Br)N
Complexity:
282
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: CCOC(=O)CC(c1ccc(cc1)Br)N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCOC(=O)CC(c1ccc(cc1)Br)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(=O)O.CCOC(=O)CC(c1cccc(c1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(c1cccc(c1)OCC)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(c1cccc(c1)OCC)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__