AI60869
910308-92-8 | (S)-Beta-(boc-amino)-3-bromobenzeneethanol
Manufacturer: A2B Chem
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CatalogNumber
AI60869
ChemicalName
(S)-Beta-(boc-amino)-3-bromobenzeneethanol
CasNumber
910308-92-8
MolecularFormula
C13H18BrNO3
MolecularWeight
316.19091999999995
MdlNumber
MFCD27952001
Smiles
OC[C@H](c1cccc(c1)Br)NC(=O)OC(C)(C)C
Complexity
278
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AI60869
ChemicalName: (S)-Beta-(boc-amino)-3-bromobenzeneethanol
CasNumber: 910308-92-8
MolecularFormula: C13H18BrNO3
MolecularWeight: 316.19091999999995
MdlNumber: MFCD27952001
Smiles: OC[C@H](c1cccc(c1)Br)NC(=O)OC(C)(C)C
Complexity: 278
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AI60869
ChemicalName:
(S)-Beta-(boc-amino)-3-bromobenzeneethanol
CasNumber:
910308-92-8
MolecularFormula:
C13H18BrNO3
MolecularWeight:
316.19091999999995
MdlNumber:
MFCD27952001
Smiles:
OC[C@H](c1cccc(c1)Br)NC(=O)OC(C)(C)C
Complexity:
278
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(C)COCCC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1(C)COCCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1cc(OC)ccc1Br
Complexity: 132
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCc1cc(OC)ccc1Br
Complexity:
132
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1ccc(cn1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1ccc(cn1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__