AE31962
1132817-76-5 | Methyl 2-amino-2-(3-bromophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AE31962
ChemicalName
Methyl 2-amino-2-(3-bromophenyl)acetate
CasNumber
1132817-76-5
MolecularFormula
C9H10BrNO2
MolecularWeight
244.0852
MdlNumber
MFCD25955005
Smiles
COC(=O)C(c1cccc(c1)Br)N
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AE31962
ChemicalName: Methyl 2-amino-2-(3-bromophenyl)acetate
CasNumber: 1132817-76-5
MolecularFormula: C9H10BrNO2
MolecularWeight: 244.0852
MdlNumber: MFCD25955005
Smiles: COC(=O)C(c1cccc(c1)Br)N
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AE31962
ChemicalName:
Methyl 2-amino-2-(3-bromophenyl)acetate
CasNumber:
1132817-76-5
MolecularFormula:
C9H10BrNO2
MolecularWeight:
244.0852
MdlNumber:
MFCD25955005
Smiles:
COC(=O)C(c1cccc(c1)Br)N
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: Fc1ccc(cc1)C(=O)Nc1scc(c1C(=O)[O-])c1ccc(cc1)Br.[Na+]
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
Fc1ccc(cc1)C(=O)Nc1scc(c1C(=O)[O-])c1ccc(cc1)Br.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC(n1ccc(n1)N)(C)C
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(n1ccc(n1)N)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Clc1nc(nc(c1)c1ccccc1)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1nc(nc(c1)c1ccccc1)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__